SCHEMBL315202

SCHEMBL315202

Cc1ccc(C(=O)c2[c]cccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
LMNA P02545 2/20 0.54
AKR1C3 P42330 1/20 0.49
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
SRD5A2 P31213 2/20 0.47
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAOB P27338 1/20 0.41
POLB P06746 1/20 0.40
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL218652 0.84 ALDH1A1 (0.54) ALDH1A1LMNAAKR1C3CES2CES1
SCHEMBL8372122 0.83 LMNA (0.52) ALDH1A1LMNACES2SRD5A2NPC1
Water SCHEMBL29275067 0.82 ALDH1A1 (0.52) ALDH1A1LMNAAKR1C3CES2CES1
SCHEMBL7525114 0.81 LTA4H (0.44) ALDH1A1LMNACES2CES1NPC1
SCHEMBL5847128 0.81 NR4A1 (0.49) ALDH1A1CES2CES1SRD5A2NPC1
SCHEMBL6838248 0.81 AKR1C3 (0.49) LMNAAKR1C3CES2CES1NPC1
SCHEMBL5848521 0.81 CES2 (0.51) ALDH1A1LMNACES2CES1NPC1
SCHEMBL143892 0.80 ALDH1A1 (0.38) ALDH1A1AKR1C3CES2CES1SRD5A2
SCHEMBL8616020 0.79 ALDH1A1 (0.34) ALDH1A1LMNASRD5A2NPC1RAB9A
SCHEMBL3209323 0.78 ALDH1A1 (0.54) ALDH1A1LMNAAKR1C3CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165446-A1 BENZO-OR PYRIDO-IMIDAZOLE DERIVATIVE HORIKOSHI, HIROYOSHI (CA) 2013-06-27 US claimed
EP-2581373-A1 BENZO- OR PYRIDO-IMIDAZOLE DERIVATIVE Fujita, Takashi (JP) 2013-04-17 EP claimed
US-20130165446-A1 BENZO-OR PYRIDO-IMIDAZOLE DERIVATIVE HORIKOSHI, HIROYOSHI (CA) 2013-06-27 US disclosed
EP-2581373-A1 BENZO- OR PYRIDO-IMIDAZOLE DERIVATIVE Fujita, Takashi (JP) 2013-04-17 EP disclosed
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
CN-1898244-B Triazole derivatives as vasopressin antagonists PFIZER 2011-06-22 CN disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
CN-1898244-A Triazole derivatives as vasopressin antagonists PFIZER (US) 2007-01-17 CN disclosed
US-20050154024-A1 Compounds useful in therapy PFIZER INC 2005-07-14 US 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-20050154024-A1 Compounds useful in therapy PTGER4, PTGER3, ALOX5 ALDH1A1 2650/4885LMNA 2443/4885AKR1C3 339/4885
US-20130165446-A1 BENZO-OR PYRIDO-IMIDAZOLE DERIVATIVE PPARG, PPARA, PPARD ALDH1A1 1612/4885LMNA 3164/4885AKR1C3 1870/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 ALDH1A1 2031/4885LMNA 1738/4885AKR1C3 757/4885

“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.