SCHEMBL3051314

SCHEMBL3051314

O=Cc1cc(F)c(-c2ccc3[nH]cnc3c2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.41
▸ ALOX5AP P20292 3/20 0.37
▸ FEN1 P39748 3/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ CREBBP Q92793 1/20 0.36
▸ QPCT Q16769 2/20 0.35
▸ QPCTL Q9NXS2 2/20 0.35
▸ P2RY14 Q15391 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ PSMD11 O00231 1/20 0.34
▸ IP6K1 Q92551 1/20 0.33
▸ IP6K3 Q96PC2 1/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ EGFR P00533 1/20 0.33

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
SCHEMBL29505633 0.77 CYP2A6 (0.47) MAPTP2RY14KDM4EALDH1A1APEX1
SCHEMBL1160196 0.77 CYP2A6 (0.47) MAPTP2RY14KDM4EALDH1A1APEX1
SCHEMBL6008269 0.75 MAPT (0.50) MAPTBRD4CREBBPQPCTQPCTL
SCHEMBL31143361 0.75 MAPT (0.50) MAPTBRD4CREBBPQPCTQPCTL
SCHEMBL13373341 0.74 QPCT (0.51) MAPTALOX5APFEN1QPCTQPCTL
SCHEMBL28178019 0.73 PSMD11 (0.49) MAPTQPCTQPCTLKDM4EALDH1A1
SCHEMBL13137265 0.72 CCNB2 (0.38) MAPTALOX5APFEN1BRD4CREBBP
SCHEMBL8541511 0.72 CYP2A6 (0.38) MAPTBRD4QPCTQPCTLP2RY14
SCHEMBL7369110 0.70 ALDH1A1 (0.48) MAPTQPCTQPCTLKDM4EALDH1A1
SCHEMBL17137631 0.69 MAPT (0.49) MAPTALOX5APFEN1QPCTQPCTL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION 2010-09-02 — — US disclosed
US-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION 2010-09-02 — — US disclosed
US-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION 2010-09-02 — — US disclosed
EP-2049481-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SmithKline Beecham Corporation (US) 2009-04-22 — — EP disclosed
WO-2008021851-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 — — 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-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 MAPT 1626/4885ALOX5AP 964/4885FEN1 4876/4885

“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.

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