SCHEMBL1753944

SCHEMBL1753944

Cc1cc(CN)c(F)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 3/20 0.39
RECQL P46063 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
APEX1 P27695 2/20 0.39
BLM P54132 2/20 0.39
GAPDH P04406 1/20 0.39
THRB P10828 1/20 0.39
HSD17B10 Q99714 3/20 0.38
CYP3A4 P08684 2/20 0.38
ADRB2 P07550 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
ADRA1A P35348 1/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 3/20 0.38
ALOX15 P16050 2/20 0.38
MAPK1 P28482 2/20 0.38

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
Hydrochloric Acid SCHEMBL2105584 0.98 RAD52 (0.41) RAD52RECQLTDP1MEN1KMT2A
SCHEMBL23707382 0.77 ALDH1A1 (0.50) TDP1MEN1KMT2AHSD17B10CYP3A4
SCHEMBL14452263 0.77 MEN1 (0.68) RAD52RECQLTDP1MEN1KMT2A
SCHEMBL14755507 0.76 KDM4E (0.35) RAD52RECQLTDP1MEN1KMT2A
SCHEMBL5702186 0.76 NPSR1 (0.35) RECQLTDP1MEN1KMT2AAPEX1
SCHEMBL17645789 0.75 ALDH1A1 (0.34) HSD17B10ALOX15ALDH1A1CYP1A2HIF1A
SCHEMBL31593875 0.75 CD44 (0.41) TDP1CYP3A4TAAR1
SCHEMBL6952114 0.75 AKR1B1 (0.42) RECQLTDP1MEN1KMT2AAPEX1
SCHEMBL6461901 0.74 KDM4E (0.50) TDP1HSD17B10CYP3A4KDM4EMAPT
SCHEMBL13527770 0.74 LOXL2 (0.42) RAD52RECQLTDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158650-B2 Substituted phenylmethyl bicyclocarboxyamide compounds PFIZER INC. (US) 2012-04-17 US disclosed
US-8158650-B2 Substituted phenylmethyl bicyclocarboxyamide compounds PFIZER INC. (US) 2012-04-17 US disclosed
EP-2222631-B1 SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER (US) 2011-08-17 EP disclosed
US-20100087480-A1 SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER INC. 2010-04-08 US disclosed
US-20100087480-A1 SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER INC. 2010-04-08 US disclosed
WO-2008050199-A2 SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2008-05-02 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-20100087480-A1 SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS TRPV1, P2RY1, TRPV2 RAD52 4669/4885RECQL 4011/4885TDP1 1923/4885

“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.