SCHEMBL2133754

SCHEMBL2133754

O=C(CCl)Nc1ccncc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.61
MDM2 Q00987 1/20 0.59
RAB9A P51151 4/20 0.59
NPC1 O15118 3/20 0.59
MITF O75030 2/20 0.58
XBP1 P17861 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
NOD2 Q9HC29 1/20 0.58
ALDH1A1 P00352 3/20 0.56
HTT P42858 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
PRMT1 Q99873 1/20 0.56
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL21296615 0.98 BCHE (0.59) BCHEMDM2RAB9ANPC1MITF
SCHEMBL9081388 0.84 NPC1 (0.76) RAB9ANPC1MITFXBP1NPSR1
SCHEMBL10788197 0.81 HDAC3 (0.68) BCHEMDM2RAB9ANPC1NOD2
SCHEMBL9912422 0.81 BCHE (0.63) BCHEMDM2RAB9ANPC1ALDH1A1
SCHEMBL10254172 0.79 BCHE (0.72) BCHEMDM2RAB9ANPC1ALDH1A1
SCHEMBL334233 0.79 BCHE (0.61) BCHEMDM2RAB9ANPC1ALDH1A1
SCHEMBL9477024 0.79 BCHE (0.61) BCHEMDM2RAB9ANPC1ALDH1A1
SCHEMBL1343363 0.79 BCHE (0.61) BCHEMDM2RAB9ANPC1ALDH1A1
SCHEMBL8286810 0.79 BCHE (0.61) BCHEMDM2RAB9ANPC1ALDH1A1
SCHEMBL2191198 0.79 MAPT (0.51) RAB9ANPC1MITFXBP1NPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1631260-A2 PHARMACEUTICAL CO-CRYSTAL COMPOSITIONS OF DRUGS SUCH AS CARBAMAZEPINE, CELECOXIB, OLANZAPINE, ITRACONAZOLE, TOPIRAMATE, MODAFINIL, 5-FLUOROURACIL, HYDROCHLOROTHAZIDE, ACETAMINOPHEN, ASPIRIN, FLURBIPROFEN, PHENYTOIN AND IBUPROFEN Transform Pharmaceuticals, Inc. (US) 2006-03-08 EP claimed
WO-2004078163-A2 PHARMACEUTICAL CO-CRYSTAL COMPOSITIONS OF DRUGS SUCH AS CARBAMAZEPINE, CELECOXIB, OLANZAPINE, ITRACONAZOLE, TOPIRAMATE, MODAFINIL, 5-FLUOROURACIL, HYDROCHLOROTHIAZIDE, ACETAMINOPHEN, ASPIRIN, FLURBIPROFEN, PHENYTOIN AND IBUPROFEN TRANSFORM PHARMACEUTICALS, INC. (US) 2004-09-16 WO claimed
CN-115151256-B Novel compounds for the treatment of diseases associated with DUX4 expression 因维戈疗法有限公司 2024-08-20 CN disclosed
EP-3568390-B1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF SANFORD BURNHAM PREBYS MEDICAL DISCOVERY INST (US) 2024-03-06 EP disclosed
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-11-07 US disclosed
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-11-07 US disclosed
US-20230116770-A1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2023-04-13 US disclosed
US-20230052017-A1 New compounds for treatment of diseases related to DUX4 expression Facio Intellectual Property B.V. (NL) 2023-02-16 US disclosed
EP-4065107-A1 NEW COMPOUNDS FOR TREATMENT OF DISEASES RELATED TO DUX4 EXPRESSION Facio Intellectual Property B.V. (NL) 2022-10-05 EP disclosed
CN-115151256-A Novel compounds for the treatment of diseases associated with DUX expression FACIO知识产权有限公司 2022-10-04 CN disclosed
US-11452717-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2022-09-27 US disclosed
EP-1608339-B8 PHARMACEUTICAL CO-CRYSTAL OF CELECOXIB-NICOTINAMIDE MCNEIL PPC INC (US) 2012-04-25 EP disclosed
US-20110172237-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS ASTRAZENECA UK LIMITED (GB) 2011-07-14 US disclosed
US-20110172237-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS ASTRAZENECA UK LIMITED (GB) 2011-07-14 US disclosed
CN-102089304-A Quinuclidine derivatives as M3 muscarinic receptor antagonists ASTRAZENECA AB 2011-06-08 CN disclosed
WO-2009138707-A9 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2010-01-28 WO disclosed
WO-2009138707-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2009-11-19 WO disclosed
EP-1608339-A1 PHARMACEUTICAL CO-CRYSTAL COMPOSITIONS OF DRUGS SUCH AS CARBAMAZEPINE, CELECOXIB, OLANZAPINE, ITRACONAZOLE, TOPIRAMATE, MODAFINIL, 5-FLUOROURACIL, HYDROCHLOROTHIAZIDE, ACETAMINOPHEN, ASPIRIN, FLURBIPROFEN, PHENYTOIN AND IBUPROFEN Transform Pharmaceuticals, Inc. (US) 2005-12-28 EP disclosed
WO-2004078161-A1 PHARMACEUTICAL CO-CRYSTAL COMPOSITIONS OF DRUGS SUCH AS CARBAMAZEPTINE, CELECOXIB, OLANZAPINE, ITRACONAZOLE, TOPIRAMATE, MODAFINIL, 5-FLUOROURACIL, HYDROCHLOROTHIAZIDE, ACETAMINOPHEN, ASPIRIN, FLURBIPROFEN, PHENYTOIN AND IBUPROFEN TRANSFORM PHARMACEUTICALS, INC. (US) 2004-09-16 WO disclosed
EP-0685759-A1 Photographic coating solution KONICA CORPORATION (JP) 1995-12-06 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11452717-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof NAMPT, NAPRT, NNT BCHE 3200/4885MDM2 4470/4885RAB9A 2167/4885
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof NAMPT, NAPRT, NNT BCHE 3200/4885MDM2 4470/4885RAB9A 2167/4885
US-20110172237-A1 QUINUCLIDINE DERIVATIVES AS MUSCARINIC M3 RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRM1 BCHE 539/4885MDM2 1396/4885RAB9A 1161/4885
US-20230116770-A1 SMALL MOLECULE ACTIVATORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) AND USES THEREOF NAMPT, NAPRT, NNT BCHE 3200/4885MDM2 4470/4885RAB9A 2167/4885
US-20230052017-A1 New compounds for treatment of diseases related to DUX4 expression SMN1; SMN2, UTRN, DDX21 BCHE 4206/4885MDM2 2837/4885RAB9A 827/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.