SCHEMBL4480822

SCHEMBL4480822

CCC(CCBr)c1ccccc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
CA4 P22748 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MC4R P32245 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
DHFR P00374 1/20 0.36
EGFR P00533 1/20 0.36
ACHE P22303 2/20 0.36
ALDH1A1 P00352 3/20 0.36

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
SCHEMBL19003505 0.85 POLB (0.47) POLBHTTNPSR1L3MBTL1CA1
SCHEMBL12157085 0.85 HTT (0.53) POLBHTTNPSR1L3MBTL1CA1
SCHEMBL14576458 0.82 POLB (0.49) POLBHTTNPSR1L3MBTL1CA1
SCHEMBL28112517 0.82 TAAR1 (0.46) POLBHTTNPSR1L3MBTL1CA1
SCHEMBL8211706 0.79 POLB (0.45) POLBHTTNPSR1L3MBTL1CA1
SCHEMBL9220799 0.78 POLB (0.51) POLBHTTNPSR1L3MBTL1CA1
SCHEMBL9220794 0.78 POLB (0.51) POLBHTTNPSR1L3MBTL1CA1
SCHEMBL11145074 0.76 RAB9A (0.44) POLBHTTNPSR1L3MBTL1CA1
SCHEMBL4469222 0.76 MC4R (0.37) HTTNPSR1L3MBTL1MC4RMEN1
SCHEMBL6527704 0.76 NISCH (0.40) L3MBTL1MC4RIDO1TDO2ALDH1A1

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
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 POLB 550/4885HTT 4242/4885NPSR1 4469/4885

“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.