SCHEMBL10291045

SCHEMBL10291045

Cc1cc2[nH]ccc2c(C)c1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 3/20 0.39
▸ RHEB Q15382 4/20 0.38
▸ PDE3B Q13370 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ CYP2A6 P11509 1/20 0.35
▸ NR4A2 P43354 1/20 0.35
▸ ESR2 Q92731 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.32
▸ CSNK2A1 P68400 1/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ HPGD P15428 3/20 0.32
▸ HSD17B10 Q99714 3/20 0.32
▸ GLA P06280 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ DYRK1A Q13627 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ CYP2D6 P10635 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32

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
SCHEMBL19948493 0.84 AHR (0.39) AHRRHEBCYP2A6NR4A2ALDH1A1
SCHEMBL19871227 0.81 ALDH1A1 (0.35) AHRRHEBALDH1A1KDM4EHPGD
SCHEMBL12309702 0.76 ADORA3 (0.41) AHRALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1019925 0.73 AHR (0.45) AHRRHEBCYP2A6NR4A2ALDH1A1
SCHEMBL29507097 0.73 AHR (0.45) AHRRHEBCYP2A6NR4A2ALDH1A1
SCHEMBL12309699 0.73 BRD4 (0.41) RHEBESR2ALDH1A1KDM4EPOLB
SCHEMBL20855233 0.73 GPR84 (0.42) AHRRHEBCYP2A6NR4A2ALDH1A1
SCHEMBL29345927 0.73 CSNK2A1 (0.46) AHRRHEBCYP2A6NR4A2ALDH1A1
SCHEMBL23640656 0.72 ALDH1A1 (0.32) AHRRHEBALDH1A1KDM4EHPGD
SCHEMBL23088075 0.72 CFB (0.35) RHEBALDH1A1CSNK2A1P2RX7

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 8 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-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 — — US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 — — US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 — — US disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 — — US disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 — — US disclosed
EP-2433940-A1 SPIROIMIDAZOLONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-03-28 — — EP disclosed
WO-2010126030-A1 SPIROIMIDAZOLONE DERIVATIVE 中外製薬株式会社 (JP) 2010-11-04 — — 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 (1 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 AHR 3554/4885RHEB 1429/4885PDE3B 133/4885

“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.

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