SCHEMBL5646393

SCHEMBL5646393

Clc1cc2cc(Br)ccc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.52
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RAB9A P51151 2/20 0.41
CYP2A6 P11509 2/20 0.38
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
IDO1 P14902 1/20 0.34
AHR P35869 1/20 0.33
NR4A2 P43354 1/20 0.33
MIF P14174 1/20 0.33
DYRK1A Q13627 1/20 0.33
APP P05067 2/20 0.33

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
SCHEMBL5646366 0.83 CYP2A6 (0.38) HSP90AA1MEN1KMT2ARAB9ACYP2A6
SCHEMBL3125932 0.77 HSP90AA1 (0.55) HSP90AA1LMNAMEN1KMT2ARAB9A
SCHEMBL5336284 0.77 CYP2A6 (0.41) LMNAMEN1KMT2ARAB9ACYP2A6
SCHEMBL4168284 0.76 EPM2A (0.39) HSP90AA1LMNAMEN1KMT2ACYP2A6
SCHEMBL21326404 0.76 HSP90AA1 (0.53) HSP90AA1LMNAMEN1KMT2ARAB9A
SCHEMBL13654389 0.74 BACE1 (0.53) HSP90AA1LMNAMEN1KMT2ARAB9A
SCHEMBL13737297 0.74 HSP90AA1 (0.56) HSP90AA1LMNAMEN1KMT2ARAB9A
SCHEMBL1744396 0.74 HSP90AA1 (0.52) HSP90AA1LMNAMEN1KMT2ARAB9A
SCHEMBL2090846 0.74 HSP90AA1 (0.52) HSP90AA1LMNAMEN1KMT2ARAB9A
SCHEMBL13907589 0.74 HSP90AA1 (0.47) HSP90AA1LMNAMEN1KMT2ARAB9A

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022015624-A1 SUBSTITUTED DIHYDROPYRAZINEDIONES AS MODULATORS OF THE NMDA RECEPTOR SCHRÖDINGER, INC. (US) 2022-01-20 WO disclosed
EP-3912977-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BioMarin Pharmaceutical Inc. (US) 2021-11-24 EP disclosed
EP-3046920-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARM INC (US) 2021-08-04 EP disclosed
US-20190071450-A1 BICYCLIC COMPOUNDS FOR DIAGNOSIS AND THERAPY AC IMMUNE SA (CH) 2019-03-07 US disclosed
EP-2702052-B1 17ALPHA-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2017-10-18 EP disclosed
US-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2016-08-11 US disclosed
US-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2016-08-11 US disclosed
US-9339501-B2 17a-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2016-05-17 US disclosed
US-20150209356-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-9029399-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-05-12 US disclosed
WO-2015042397-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2015-03-26 WO disclosed
US-20140228386-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-08-14 US disclosed
US-7166586-B2 Sulfonamide lactam inhibitors of FXa and method BRISTOL MYERS SQUIBB CO. (US) 2007-01-23 US disclosed
US-20040186134-A1 Sulfonamide lactam inhibitors of FXa and method O'CONNOR STEPHEN P (US) 2004-09-23 US disclosed
EP-1358178-A2 SULFONAMIDE LACTAM INHIBITORS OF FACTOR XA Bristol-Myers Squibb Company (US) 2003-11-05 EP disclosed
US-6555542-B1 Factor Xa (FXa); useful as anticoagulants in the treatment of cardiovascular diseases associated with thrombosis BRISTOL-MYERS SQUIBB COMPANY 2003-04-29 US disclosed
WO-2002060894-A2 SULFONAMIDE LACTAM INHIBITORS OF FACTOR XA BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-08 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 (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-20190071450-A1 BICYCLIC COMPOUNDS FOR DIAGNOSIS AND THERAPY SNCA, PARK7, NLN HSP90AA1 1973/4885LMNA 314/4885MEN1 3649/4885
US-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 HSP90AA1 711/4885LMNA 1297/4885MEN1 2651/4885
US-20040186134-A1 Sulfonamide lactam inhibitors of FXa and method STS, SULT1E1, F8 HSP90AA1 2498/4885LMNA 2015/4885MEN1 3235/4885
US-20150209356-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 HSP90AA1 2777/4885LMNA 4390/4885MEN1 1136/4885
US-20140228386-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 HSP90AA1 2777/4885LMNA 4390/4885MEN1 1136/4885

“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.