SCHEMBL5665346

SCHEMBL5665346

Cc1[nH]c(=O)c(Br)c(C)c1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.48
▸ TYMP P19971 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.43
▸ DAO P14920 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ ALKBH3 Q96Q83 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ PDE10A Q9Y233 1/20 0.40
▸ IDH1 O75874 1/20 0.40

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
SCHEMBL1739898 0.80 LMNA (0.40) KDM4EALDH1A1DAOLMNAKMT2A
SCHEMBL9373876 0.78 CALM1 (0.44) KDM4ETYMPALDH1A1DAOALKBH3
SCHEMBL20828256 0.76 TYMP (0.65) KDM4ETYMPALDH1A1DAOLMNA
SCHEMBL1888814 0.73 ALDH1A1 (0.60) KDM4ETYMPALDH1A1LMNAHSD17B10
SCHEMBL6129257 0.72 PDGFRA (0.49) KDM4ETYMPALDH1A1LMNAHTT
SCHEMBL6135082 0.72 DAO (0.49) KDM4ETYMPALDH1A1DAOLMNA
SCHEMBL2257130 0.72 DAO (0.49) KDM4ETYMPALDH1A1DAOLMNA
SCHEMBL5663531 0.71 TNKS2 (0.49) KDM4ETYMPALDH1A1HSD17B10SMN1; SMN2
SCHEMBL9454876 0.71 PTGS2 (0.44) KDM4ETYMPALDH1A1DAOLMNA
SCHEMBL14942695 0.70 ALKBH3 (0.45) KDM4EALDH1A1DAOLMNAHSD17B10

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-7081459-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2006-07-25 — — US disclosed
US-20050272733-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-12-08 — — US disclosed
US-6921761-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-07-26 — — US disclosed
US-20040266773-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. 2004-12-30 — — US disclosed
US-6750350-B2 THERAPY FOR SEXUAL DISORDERS NEUROCRINE BIOSCIENCES, INC. 2004-06-15 — — US disclosed
EP-1411941-A2 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS Neurocrine Biosciences, Inc. (US) 2004-04-28 — — EP disclosed
US-20030073693-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2003-04-17 — — US disclosed
WO-2003011293-A2 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2003-02-13 — — 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-20040266773-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR KDM4E 2303/4885TYMP 2548/4885ALDH1A1 2906/4885
US-20050272733-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR KDM4E 2241/4885TYMP 2749/4885ALDH1A1 3158/4885
US-20030073693-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR KDM4E 2303/4885TYMP 2548/4885ALDH1A1 2906/4885

“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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