SCHEMBL695227

SCHEMBL695227

Cc1ccc(-c2cc(C)cs2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
IDO1 P14902 1/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC2 Q92769 4/20 0.39
HDAC3 O15379 3/20 0.39
CHEK1 O14757 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
BACE1 P56817 1/20 0.39
ACHE P22303 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD17B1 P14061 3/20 0.38
HSD17B2 P37059 3/20 0.38
CYP3A4 P08684 2/20 0.38
TNFRSF1A P19438 2/20 0.38

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
SCHEMBL4200384 0.85 CNR1 (0.41) SLC6A7NPC1RAB9AALDH1A1MAPT
SCHEMBL28268808 0.85 HSD17B1 (0.55) SLC6A7HDAC1HDAC2HDAC3ESR1
SCHEMBL72613 0.84 AR (0.43) SLC6A7NPC1RAB9AACHEHSD17B1
SCHEMBL28147641 0.82 HDAC1 (0.40) SLC6A7NPC1RAB9AALDH1A1MAPT
SCHEMBL1623822 0.81 NPC1 (0.40) SLC6A7NPC1RAB9AGAAMAPT
SCHEMBL13183567 0.81 CYP1A2 (0.50) SLC6A7ALDH1A1HDAC1HDAC2HDAC3
SCHEMBL1622506 0.81 TSHR (0.46) SLC6A7NPC1RAB9AALDH1A1MAPT
SCHEMBL1521848 0.80 SLC6A7 (0.36) SLC6A7HDAC1HDAC2HDAC3CHEK1
SCHEMBL13183603 0.80 HSD17B1 (0.44) SLC6A7NPC1RAB9AALDH1A1IDO1
SCHEMBL695733 0.80 KIF11 (0.44) SLC6A7MAPTHDAC1HDAC2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421825-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
WO-2010124108-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
US-8791104-B2 1,4-benzodiazepine-2,5-diones with therapeutic properties THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-07-29 US disclosed
US-8779156-B2 Analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-15 US disclosed
US-8779156-B2 Analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-15 US disclosed
US-20130261110-A1 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-10-03 US disclosed
US-8420686-B2 Linked diimidazole antivirals ENANTA PHARMACEUTICALS, INC. (US) 2013-04-16 US disclosed
US-20130090351-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-11 US disclosed
US-20130090351-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-11 US disclosed
WO-2011119853-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-29 WO disclosed
US-20110172238-A1 BENZIMIDAZOLE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED 2011-07-14 US disclosed
US-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-09-09 US disclosed
CN-85107805-A Manufacture method as N-alkenyl-3-hydroxy benzo [b] the thiophene-2-carboxamide derivatives derivative of dual-purpose cyclooxygenase and lipoxidase inhibitor 1986-12-31 CN 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 (4 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-20100226882-A1 LINKED DIIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, MAVS SLC6A7 1607/4885NPC1 242/4885RAB9A 3434/4885
US-20130261110-A1 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES BAD, GABRA5, GABRB1 SLC6A7 3973/4885NPC1 2603/4885RAB9A 3739/4885
US-20130090351-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS BLVRB, RRP1B, C1QBP SLC6A7 2416/4885NPC1 798/4885RAB9A 824/4885
US-20110172238-A1 BENZIMIDAZOLE ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS BRI3BP, BLVRB, BRIX1 SLC6A7 3929/4885NPC1 1372/4885RAB9A 1290/4885

“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.