SCHEMBL2249056

SCHEMBL2249056

Cc1cc(I)c(CO)cc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
ALOX15 P16050 2/20 0.43
HIF1A Q16665 2/20 0.43
CYP1A2 P05177 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP3A4 P08684 4/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SHBG P04278 1/20 0.34
TERT O14746 1/20 0.33
TDP1 Q9NUW8 4/20 0.32
CASP1 P29466 1/20 0.32
THRB P10828 1/20 0.32
RECQL P46063 1/20 0.32
MAPT P10636 2/20 0.31
PKM P14618 1/20 0.31
ATAD2 Q6PL18 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
SCHEMBL2354762 0.82 SHBG (0.39) ALDH1A1ALOX15HIF1ACYP1A2CASP7
SCHEMBL274555 0.81 ALDH1A1 (0.45) ALDH1A1ALOX15HIF1ACYP1A2CASP7
SCHEMBL14386683 0.80 ALDH1A1 (0.54) ALDH1A1ALOX15HIF1ACYP1A2CASP7
SCHEMBL693700 0.76 ALDH1A1 (0.67) ALDH1A1ALOX15HIF1ACYP1A2CASP7
SCHEMBL31045145 0.76 ALDH1A1 (0.67) ALDH1A1ALOX15HIF1ACYP1A2CASP7
SCHEMBL15938037 0.75 ALDH1A1 (0.43) ALDH1A1ALOX15HIF1ACYP1A2CASP7
SCHEMBL3341060 0.75 ALDH1A1 (0.43) ALDH1A1ALOX15HIF1ACYP1A2CASP7
SCHEMBL17298240 0.74 CYP3A4 (0.55) ALDH1A1ALOX15HIF1ACYP1A2CASP7
SCHEMBL13375288 0.73 ALDH1A1 (0.50) ALDH1A1ALOX15HIF1ACYP1A2CASP7
SCHEMBL27757603 0.72 ALDH1A1 (0.50) ALDH1A1ALOX15HIF1ACYP1A2CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013214-B1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-06-24 EP disclosed
EP-2013214-B1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-06-24 EP disclosed
EP-2013213-B1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2011-07-27 EP disclosed
EP-2013213-B1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2011-07-27 EP disclosed
US-7544680-B2 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-09 US disclosed
US-7544680-B2 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-09 US disclosed
US-7544680-B2 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-09 US disclosed
EP-2013213-A2 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS Brystol-Myers Squibb Company (US) 2009-01-14 EP disclosed
EP-2013214-A2 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2009-01-14 EP disclosed
US-7470680-B2 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
US-20070259850-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2007-11-08 US disclosed
US-20070259850-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2007-11-08 US disclosed
US-20070259850-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2007-11-08 US disclosed
US-20070259851-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2007-11-08 US disclosed
US-20070259851-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2007-11-08 US disclosed
US-20070259851-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2007-11-08 US disclosed
EP-1809633-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS Brystol-Myers Squibb Company (US) 2007-07-25 EP disclosed
US-20060229447-A1 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2006-10-12 US disclosed
WO-2006052378-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-18 WO disclosed
US-20060094707-A1 Constrained compounds as CGRP-receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2006-05-04 US 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 (4 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-20060229447-A1 Constrained compounds as CGRP-receptor antagonists CALCR, BDKRB2, CALCRL ALDH1A1 3451/4885ALOX15 492/4885HIF1A 462/4885
US-20070259850-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS CALCR, BDKRB2, CALCRL ALDH1A1 3451/4885ALOX15 492/4885HIF1A 462/4885
US-20060094707-A1 Constrained compounds as CGRP-receptor antagonists CALCR, BDKRB2, CALCRL ALDH1A1 3451/4885ALOX15 492/4885HIF1A 462/4885
US-20070259851-A1 CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS CALCR, BDKRB2, CALCRL ALDH1A1 3451/4885ALOX15 492/4885HIF1A 462/4885

“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.