SCHEMBL4480833

SCHEMBL4480833

CCCCC(Br)c1cccc(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.44
MTNR1A P48039 3/20 0.44
MTNR1B P49286 3/20 0.44
ALOX5 P09917 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CASR P41180 2/20 0.42
TLR8 Q9NR97 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
PKM P14618 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
SCHEMBL27276871 0.98 AOC3 (0.43) AOC3MTNR1AMTNR1BALOX5PPARG
SCHEMBL28943802 0.89 PLAT (0.42) ALOX5PPARGPPARA
SCHEMBL11618534 0.87 AOC3 (0.46) AOC3MTNR1AMTNR1BALOX5PPARG
SCHEMBL2744792 0.84 POLB (0.37) ALOX5PPARGPPARA
SCHEMBL2179193 0.83 AOC3 (0.49) AOC3MTNR1AMTNR1BL3MBTL1CASR
SCHEMBL6702192 0.82 MTNR1A (0.46) AOC3MTNR1AMTNR1BALOX5PPARG
SCHEMBL6055156 0.82 AOC3 (0.60) AOC3MTNR1AMTNR1BALOX5L3MBTL1
SCHEMBL11619991 0.82 AOC3 (0.45) AOC3MTNR1AMTNR1BL3MBTL1CASR
SCHEMBL14441698 0.82 CASR (0.47) AOC3MTNR1AMTNR1BL3MBTL1CASR
SCHEMBL18937394 0.81 AOC3 (0.44) AOC3MTNR1AMTNR1BALOX5PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020243135-A1 FUSED HETEROCYCLIC DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2020-12-03 WO disclosed
EP-1740576-B1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES HOFFMANN LA ROCHE (CH) 2009-07-01 EP disclosed
US-7211576-B2 Diaminothiazoles HOFFMANN-LA ROCHE INC. (US) 2007-05-01 US disclosed
EP-1740576-A1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES F. Hoffman-la Roche AG (CH) 2007-01-10 EP disclosed
WO-2005103034-A1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES F. HOFFMAN-LA ROCHE AG (CH) 2005-11-03 WO disclosed
US-20050239843-A1 Diaminothiazoles DING QINGJIE 2005-10-27 US disclosed
US-6071935-A Derivatives of 2-(2-oxo-ethylidene)-imidazolidin-4-one and their use as farnesyl protein transferase inhibitors PFIZER INC. (US) 2000-06-06 US disclosed
EP-0907649-A1 DERIVATIVES OF 2-(2-OXO-ETHYLIDENE)-IMIDAZOLIDIN-4-ONE AND THEIR USE AS FARNESYL PROTEIN TRANSFERASE INHIBITORS PFIZER INC. (US) 1999-04-14 EP disclosed
WO-1997049700-A1 DERIVATIVES OF 2-(2-OXO-ETHYLIDENE)-IMIDAZOLIDIN-4-ONE AND THEIR USE AS FARNESYL PROTEIN TRANSFERASE INHIBITORS PFIZER INC. (US) 1997-12-31 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-20050239843-A1 Diaminothiazoles CDK4, CDK2, CDK1 AOC3 4422/4885MTNR1A 2443/4885MTNR1B 2434/4885

“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.