SCHEMBL6864047

SCHEMBL6864047

Cc1cc(NC(=O)O)cc(C)c1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
LMNA P02545 4/20 0.41
THRB P10828 1/20 0.41
MAPT P10636 3/20 0.41
STAT3 P40763 1/20 0.41
NOD2 Q9HC29 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.39
DRD3 P35462 1/20 0.39
FKBP5 Q13451 1/20 0.39
ACP1 P24666 2/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL850463 0.84 LMNA (0.54) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL10870818 0.83 KMT2A (0.52) ALDH1A1LMNATHRBKMT2AMEN1
SCHEMBL27670903 0.83 KIF11 (0.46) ALDH1A1LMNATHRBMAPTSTAT3
SCHEMBL879705 0.81 SMN1; SMN2 (0.47) ALDH1A1LMNATHRBMAPTSTAT3
SCHEMBL27612062 0.80 RAB9A (0.48) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL4740889 0.79 CYTH2 (0.47) ALDH1A1LMNATHRBKMT2AMEN1
SCHEMBL524517 0.78 HDAC1 (0.49) LMNAMAPTKMT2AMEN1POLB
SCHEMBL27632829 0.78 LMNA (0.41) ALDH1A1LMNATHRBMAPTSTAT3
SCHEMBL29177228 0.77 SOS1 (0.41) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL8796471 0.77 ALDH1A1 (0.63) ALDH1A1LMNAMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-21 US disclosed
EP-2433940-B9 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2015-10-28 EP disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
EP-2433940-B1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2014-09-24 EP disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 US disclosed
EP-1286957-B1 DIPHENYLMETHANE DERIVATIVES BAYER HEALTHCARE AG (DE) 2004-11-03 EP disclosed
US-6803480-B2 THERAPEUTIC TREATMENT AND/OR PROPHYLAXIS OF ARTERIOSCLEROSIS AND HYPERCHOLESTEROLAEMIA BAYER AKTIENGESELLSCHAFT (DE) 2004-10-12 US disclosed
US-20030203898-A1 Therapeutic treatment and/or prophylaxis of arteriosclerosis and hypercholesterolaemia BAYER AKTIENGESELLSCHAFT (DE) 2003-10-30 US disclosed
EP-1286957-A1 DIPHENYLMETHANE DERIVATIVES Bayer Aktiengesellschaft (DE) 2003-03-05 EP disclosed
WO-2001090053-A1 DIPHENYLMETHANE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2001-11-29 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 (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-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 ALDH1A1 836/4885LMNA 2006/4885THRB 2001/4885
US-20030203898-A1 Therapeutic treatment and/or prophylaxis of arteriosclerosis and hypercholesterolaemia APOB, HMGCR, PCSK9 ALDH1A1 1351/4885LMNA 287/4885THRB 2653/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 ALDH1A1 836/4885LMNA 2006/4885THRB 2001/4885

“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.