SCHEMBL3388873

SCHEMBL3388873

Nc1ccc(SCc2ccccn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CYP1A2 P05177 3/20 0.52
CYP2E1 P05181 2/20 0.52
CYP2C8 P10632 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2B6 P20813 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP3A4 P08684 1/20 0.52
LMNA P02545 1/20 0.51
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
KDM4E B2RXH2 2/20 0.49
HRH1 P35367 1/20 0.48
DAO P14920 1/20 0.48
MAPT P10636 2/20 0.46
ALDH1A1 P00352 4/20 0.45

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
SCHEMBL432670 0.85 NPC1 (0.59) L3MBTL1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL29405082 0.85 NPC1 (0.59) L3MBTL1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL6795231 0.83 ALDH1A1 (0.66) L3MBTL1NPC1RAB9ACYP1A2CYP2D6
SCHEMBL9656225 0.82 DAO (0.55) L3MBTL1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL8362996 0.82 NPC1 (0.56) L3MBTL1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL4635750 0.82 RAB9A (0.53) L3MBTL1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL1457922 0.82 NPC1 (0.53) L3MBTL1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL11163593 0.82 NPC1 (0.58) L3MBTL1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL3387605 0.81 NPC1 (0.49) NPC1RAB9ASMN1; SMN2CYP1A2CYP2E1
Hydrochloric Acid SCHEMBL11174365 0.81 NPC1 (0.57) L3MBTL1NPC1RAB9ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4003906-A Substituted pyridinyl methylthio or (methylsulfonyl)benzeneamines THE DOW CHEMICAL COMPANY (US) 1977-01-18 US claimed
US-20100298343-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. 2010-11-25 US disclosed
US-20100298343-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. 2010-11-25 US disclosed
US-20100298343-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. 2010-11-25 US disclosed
EP-2207547-A2 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS Amira Pharmaceuticals, Inc. (US) 2010-07-21 EP disclosed
WO-2009045700-A2 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2009-04-09 WO disclosed
WO-2009045700-A2 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2009-04-09 WO disclosed
US-20070225285-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-09-27 US disclosed
US-7262185-B2 Benzazepine derivative, process for producing the same, and use TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2007-08-28 US disclosed
US-20040235822-A1 Benzazepine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-11-25 US disclosed
EP-1422228-A1 BENZAZEPINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-05-26 EP disclosed
EP-0335144-A1 3,4,5-Substituted-4H-1,2,4-triazoles, their preparation and their use BOEHRINGER INGELHEIM KG (DE) 1989-10-04 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 (3 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-20070225285-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 L3MBTL1 888/4885NPC1 3726/4885RAB9A 3493/4885
US-20100298343-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 L3MBTL1 888/4885NPC1 3726/4885RAB9A 3493/4885
US-20040235822-A1 Benzazepine derivative, process for producing the same, and use CYP1B1, CYP1A1, CYP2E1 L3MBTL1 2184/4885NPC1 2059/4885RAB9A 2546/4885

“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.