SCHEMBL1808751

SCHEMBL1808751

CCCc1ccc(C(Cl)=NO)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.47
POLB P06746 3/20 0.46
CTDSP1 Q9GZU7 3/20 0.46
ALDH1A1 P00352 3/20 0.46
GAA P10253 3/20 0.46
KDM4E B2RXH2 1/20 0.46
THRB P10828 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
LPL P06858 1/20 0.44
LIPG Q9Y5X9 1/20 0.44
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
CNR2 P34972 2/20 0.39
THRA P10827 1/20 0.39
CNR1 P21554 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.37

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
SCHEMBL1808750 1.00 PLK1 (0.47) PLK1POLBCTDSP1ALDH1A1GAA
SCHEMBL18770623 0.87 THRA (0.54) ALDH1A1KDM4ETHRBLPLLIPG
SCHEMBL18770624 0.87 THRA (0.54) ALDH1A1KDM4ETHRBLPLLIPG
SCHEMBL10178590 0.83 ALDH1A1 (0.48) PLK1POLBALDH1A1GAAL3MBTL1
SCHEMBL8167757 0.83 ALDH1A1 (0.48) PLK1POLBALDH1A1GAAL3MBTL1
SCHEMBL4196635 0.82 THRA (0.33) KDM4ETHRBESR1ESR2THRA
SCHEMBL4196637 0.82 THRA (0.33) KDM4ETHRBESR1ESR2THRA
SCHEMBL28806727 0.80 TDP1 (0.41) KDM4ETHRBKMT2AESR1ESR2
SCHEMBL19938064 0.78 PLK1 (0.48) PLK1POLBCTDSP1ALDH1A1GAA
SCHEMBL11814265 0.78 ALDH1A1 (0.33) ALDH1A1GAAL3MBTL1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2592071-B1 Tricyclic heterocyclic compounds BRISTOL MYERS SQUIBB CO (US) 2019-09-18 EP disclosed
EP-2592071-B1 Tricyclic heterocyclic compounds BRISTOL MYERS SQUIBB CO (US) 2019-09-18 EP disclosed
US-9216972-B2 Tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-22 US disclosed
US-9216972-B2 Tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-22 US disclosed
US-9216972-B2 Tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-22 US disclosed
EP-2592071-A1 Tricyclic heterocyclic compounds Bristol-Myers Squibb Company (US) 2013-05-15 EP disclosed
EP-2493866-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS Bristol-Myers Squibb Company (US) 2012-09-05 EP disclosed
US-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2012-08-23 US disclosed
US-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2012-08-23 US disclosed
US-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2012-08-23 US disclosed
WO-2011059784-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 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-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS S1PR1, S1PR3, TBXA2R PLK1 427/4885POLB 3030/4885CTDSP1 992/4885

“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.