SCHEMBL631055

SCHEMBL631055

O=Cc1ccc(-c2ccccn2)s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.64
MAPT P10636 6/20 0.64
NPC1 O15118 4/20 0.64
RAB9A P51151 4/20 0.64
GLA P06280 2/20 0.64
CYP2A6 P11509 2/20 0.53
CYP2E1 P05181 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2B6 P20813 1/20 0.53
CYP2C19 P33261 1/20 0.53
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50

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
SCHEMBL13859292 0.85 CYP2A6 (0.54) KDM4EMAPTNPC1RAB9AGLA
SCHEMBL6877002 0.83 KDM4E (0.56) KDM4EMAPTNPC1RAB9AGLA
SCHEMBL6877010 0.83 KDM4E (0.56) KDM4EMAPTNPC1RAB9AGLA
SCHEMBL6852112 0.81 CYP2A6 (0.56) KDM4EMAPTNPC1RAB9AGLA
SCHEMBL17057434 0.80 CYP2A6 (0.46) KDM4EMAPTNPC1RAB9AGLA
SCHEMBL3069800 0.80 KDM4E (1.00) KDM4EMAPTNPC1RAB9AGLA
SCHEMBL6156977 0.79 KDM4E (0.60) KDM4EMAPTNPC1RAB9AGLA
SCHEMBL6156973 0.79 KDM4E (0.60) KDM4EMAPTNPC1RAB9AGLA
SCHEMBL28857293 0.78 KDM4E (0.95) KDM4EMAPTNPC1RAB9AGLA
SCHEMBL6850748 0.76 CYP2A6 (0.60) KDM4EMAPTCYP2A6CYP2E1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113164459-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-03 CN claimed
CN-110283213-B Colorimetric probe capable of detecting bisulfite and mercury ions, and synthesis method and application thereof 中南民族大学 2022-03-15 CN claimed
CN-100343256-C Biaryl substituted diazabicycloalkane amides as nicotinic acetylcholine agonists ASTRAZENECA AB (SE) 2007-10-17 CN claimed
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2007-01-18 US claimed
CN-1678615-A Biaryl substituted diazabicycloalkanes as nicotinic acetylcholine antagonists ASTRAZENECA AB (SE) 2005-10-05 CN claimed
EP-1452522-A2 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-09-01 EP claimed
US-20040147745-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-07-29 US claimed
EP-1178958-B1 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2004-02-18 EP claimed
US-20030096796-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-05-22 US claimed
JP-2002539191-A 2002-11-19 JP claimed
US-6455502-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-09-24 US claimed
EP-1178958-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-02-13 EP claimed
WO-2000055125-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO claimed
US-12577243-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2026-03-17 US disclosed
CN-113164459-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-03 CN disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
EP-0588785-A1 UREA BASED LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1994-03-30 EP disclosed
US-5185363-A Administering for treatment of inflammatory diseases ABBOTT LABORATORIES (US) 1993-02-09 US disclosed
EP-0588785-A4 UREA BASED LIPOXYGENASE INHIBITING COMPOUNDS. ABBOTT LAB (US) 1991-12-30 EP disclosed
WO-1990012008-A1 UREA BASED LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1990-10-18 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-20030096796-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 KDM4E 2428/4885MAPT 2606/4885NPC1 545/4885
US-12577243-B2 Monoacylglycerol lipase modulators MGLL, LPL, FAAH KDM4E 3565/4885MAPT 3782/4885NPC1 212/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 KDM4E 2428/4885MAPT 2606/4885NPC1 545/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 KDM4E 2428/4885MAPT 2606/4885NPC1 545/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP KDM4E 2437/4885MAPT 2516/4885NPC1 868/4885

“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.