SCHEMBL1979692

SCHEMBL1979692

O=Cc1ccc(O)c(Br)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.46
ERN1 O75460 8/20 0.41
RRM2 P31350 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HTR2B P41595 1/20 0.37
HSD17B3 P37058 1/20 0.36
TERT O14746 1/20 0.36
KDM4E B2RXH2 1/20 0.35
PTGS2 P35354 1/20 0.35
RAB9A P51151 1/20 0.35
TRIM24 O15164 2/20 0.32
TRIM33 Q9UPN9 2/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL24983588 0.77 CCR1 (0.50) CCR1ERN1RRM2ALDH1A1HTR2B
SCHEMBL2494195 0.76 CCR1 (0.48) CCR1ERN1RRM2ALDH1A1HTR2B
SCHEMBL29935362 0.74 CCR1 (0.46) CCR1ERN1RRM2ALDH1A1HTR2B
SCHEMBL16742704 0.74 CCR1 (0.46) CCR1ERN1RRM2ALDH1A1HTR2B
SCHEMBL1574734 0.74 CCR1 (0.46) CCR1RRM2ALDH1A1TERTTRIM24
SCHEMBL17049068 0.74 CCR1 (0.46) CCR1RRM2ALDH1A1HTR2BTERT
SCHEMBL15104564 0.74 CCR1 (0.46) CCR1ERN1RRM2ALDH1A1TERT
SCHEMBL25207516 0.74 CCR1 (0.46) CCR1RRM2ALDH1A1TERTTRIM24
SCHEMBL5490830 0.69 PRKDC (0.44) CCR1ERN1ALDH1A1KDM4ETRIM24
SCHEMBL16563898 0.69 CCR1 (0.42) CCR1ERN1ALDH1A1HTR2BTERT

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765039-B2 Biaryl derivatives as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-09-19 US disclosed
US-9765039-B2 Biaryl derivatives as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-09-19 US disclosed
US-9765039-B2 Biaryl derivatives as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-09-19 US disclosed
EP-2504323-B1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN INC (US) 2017-03-15 EP disclosed
US-8828973-B2 Compounds as receptor modulators with therapeutic utility ALLERGAN, INC. (US) 2014-09-09 US disclosed
US-8828973-B2 Compounds as receptor modulators with therapeutic utility ALLERGAN, INC. (US) 2014-09-09 US disclosed
US-8828973-B2 Compounds as receptor modulators with therapeutic utility ALLERGAN, INC. (US) 2014-09-09 US disclosed
US-20140221317-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN, INC. (US) 2014-08-07 US disclosed
US-20140221317-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN, INC. (US) 2014-08-07 US disclosed
US-20140221317-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN, INC. (US) 2014-08-07 US disclosed
US-20140140956-A1 BIARYL DERIVATIVES AS BROMODOMAIN INHIBITORS RVX THERAPEUTICS INC. (CA) 2014-05-22 US disclosed
US-8703745-B1 Compounds as receptor modulators with therapeutic utility ALLERGAN, INC. (US) 2014-04-22 US disclosed
US-20140107075-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN, INC. (US) 2014-04-17 US disclosed
US-20130157982-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN, INC. (US) 2013-06-20 US disclosed
US-20130157982-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN, INC. (US) 2013-06-20 US disclosed
US-20130157982-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN, INC. (US) 2013-06-20 US disclosed
US-8440644-B2 Compounds as receptor modulators with therapeutic utility ALLERGAN, INC. (US) 2013-05-14 US disclosed
EP-2504323-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY Allergan, Inc. (US) 2012-10-03 EP disclosed
US-20110212925-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN, INC. (US) 2011-09-01 US disclosed
WO-2011066184-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY ALLERGAN, INC. (US) 2011-06-03 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 (5 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-20140107075-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY S1PR1, S1PR3, S1PR2 CCR1 1051/4885ERN1 1575/4885RRM2 1436/4885
US-20110212925-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY S1PR1, S1PR3, S1PR2 CCR1 1051/4885ERN1 1575/4885RRM2 1436/4885
US-20140140956-A1 BIARYL DERIVATIVES AS BROMODOMAIN INHIBITORS BRDT, BRD3, BRD4 CCR1 3776/4885ERN1 1878/4885RRM2 1513/4885
US-20140221317-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY S1PR1, S1PR3, S1PR2 CCR1 1051/4885ERN1 1575/4885RRM2 1436/4885
US-20130157982-A1 NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY S1PR1, S1PR3, S1PR2 CCR1 1051/4885ERN1 1575/4885RRM2 1436/4885

“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.