SCHEMBL6941203

SCHEMBL6941203

CCOc1cc(C)ccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.61
L3MBTL1 Q9Y468 5/20 0.61
HPGD P15428 5/20 0.61
POLB P06746 5/20 0.61
ALDH1A1 P00352 4/20 0.61
NPSR1 Q6W5P4 3/20 0.61
CYP2C19 P33261 3/20 0.61
CYP2C9 P11712 2/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
USP2 O75604 1/20 0.61
ALOX12 P18054 1/20 0.61
MAPK1 P28482 1/20 0.61
RAB9A P51151 3/20 0.60
ATM Q13315 1/20 0.60
LMNA P02545 4/20 0.51
XBP1 P17861 2/20 0.51
GAA P10253 1/20 0.51
NPC1 O15118 2/20 0.47
TSHR P16473 3/20 0.46

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
SCHEMBL2611833 0.88 MAPT (0.75) MAPTL3MBTL1HPGDPOLBALDH1A1
SCHEMBL13921776 0.84 MAPT (0.67) MAPTL3MBTL1HPGDPOLBALDH1A1
SCHEMBL8157623 0.82 KDM4E (0.49) MAPTL3MBTL1HPGDPOLBALDH1A1
SCHEMBL15597487 0.81 MAPT (0.63) MAPTL3MBTL1HPGDPOLBALDH1A1
SCHEMBL1311327 0.81 TSHR (0.50) MAPTHPGDPOLBALDH1A1CYP2C19
SCHEMBL29483410 0.81 TSHR (0.50) MAPTHPGDPOLBALDH1A1CYP2C19
SCHEMBL805356 0.80 MAPT (0.61) MAPTL3MBTL1HPGDPOLBALDH1A1
SCHEMBL13791043 0.80 MAPT (0.62) MAPTL3MBTL1HPGDPOLBALDH1A1
SCHEMBL15040809 0.79 GAA (0.53) MAPTL3MBTL1HPGDPOLBALDH1A1
SCHEMBL3789310 0.79 NQO1 (0.52) MAPTL3MBTL1HPGDPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11173145-B2 Compounds useful as inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan dioxygenase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-11-16 US disclosed
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-20190055257-A1 SUBSTITUTED 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZINES AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2019-02-21 US disclosed
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-15 US disclosed
US-9790169-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-17 US disclosed
US-20170231999-A1 IDO INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-17 US disclosed
US-20160289171-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2016-10-06 US disclosed
US-20160115169-A1 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2016-04-28 US disclosed
US-20160115169-A1 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2016-04-28 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
WO-2009125870-A1 PYRIMIDINE, PYRIDINE AND TRIAZINE DERIVATIVES AS MAXI-K CHANNEL OPENERS. MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-15 WO disclosed
EP-1531822-B1 1-ARYL-4-SUBSTITUTED PIPERAZINE DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS CHEMOCENTRYX INC (US) 2009-08-05 EP disclosed
EP-1748994-B1 NITROOXYDERIVATIVES OF ANTIHYPERTENSIVE DRUGS NICOX SA (FR) 2009-02-18 EP disclosed
US-20070060586-A1 Nitrooxyderivatives of antihypertensive drugs NICOX S.A. (FR) 2007-03-15 US disclosed
US-20070060586-A1 Nitrooxyderivatives of antihypertensive drugs NICOX S.A. (FR) 2007-03-15 US disclosed
EP-1080069-B1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO (JP) 2003-03-19 EP disclosed
US-20020193614-A1 Anthranilic acid derivatives as inhibitors of the CGMP-phosphodiesterase FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-12-19 US disclosed
US-6384080-B1 TREATMENT AND/OR PREVENTION OF CERTAIN CARDIOVASCULAR DISORDERS, UROGENITAL DISORDERS, RESPIRATORY SYSTEM DISORDERS, DISORDERS OF GUT MOTILITY, SEXUAL DISORDERS, DIABETIC COMPLICATIONS, URTICARIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-07 US disclosed
EP-1080069-A1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-07 EP disclosed
WO-1999054284-A1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-28 WO 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 (9 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-20070060586-A1 Nitrooxyderivatives of antihypertensive drugs ADRB2, ADRB1, ADRA2B MAPT 1645/4885L3MBTL1 4676/4885HPGD 129/4885
US-20170231999-A1 IDO INHIBITORS IDO1, IDO2, INMT MAPT 1988/4885L3MBTL1 3687/4885HPGD 129/4885
US-20020193614-A1 Anthranilic acid derivatives as inhibitors of the CGMP-phosphodiesterase PDE3A, PDE2A, PDE5A MAPT 4706/4885L3MBTL1 4716/4885HPGD 76/4885
US-20160115169-A1 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS GRM2, GRM5, GRM1 MAPT 940/4885L3MBTL1 4573/4885HPGD 1972/4885
US-11173145-B2 Compounds useful as inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan dioxygenase TPH2, TPH1, IDO2 MAPT 2054/4885L3MBTL1 4832/4885HPGD 81/4885
US-20190055257-A1 SUBSTITUTED 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZINES AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS GRM2, GRM5, GRM1 MAPT 1193/4885L3MBTL1 4468/4885HPGD 2385/4885
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT MAPT 3241/4885L3MBTL1 4405/4885HPGD 65/4885
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT MAPT 3241/4885L3MBTL1 4405/4885HPGD 65/4885
US-20160289171-A1 IDO INHIBITORS IDO1, IDO2, INMT MAPT 1988/4885L3MBTL1 3687/4885HPGD 129/4885

“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.