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SCHEMBL1504255

SCHEMBL1504255

COC(=O)c1cc2c(F)c(Cl)ccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 3/20 0.57
▸ IDO1 P14902 1/20 0.47
▸ XDH P47989 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ ULK1 O75385 1/20 0.43
▸ NR4A2 P43354 2/20 0.42
▸ FLT3 P36888 2/20 0.41
▸ ALPL P05186 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ ALOX5 P09917 2/20 0.39
▸ KIF11 P52732 1/20 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
SCHEMBL13593173 0.87 HRH4 (0.55) HRH4IDO1FLT3KDM4EALDH1A1
SCHEMBL22647484 0.85 CYP1A2 (0.46) HRH4XDHCYP1A2ULK1NR4A2
SCHEMBL19331400 0.85 HRH4 (0.56) HRH4XDHCYP1A2ULK1NR4A2
SCHEMBL30039640 0.85 HRH4 (0.56) HRH4XDHCYP1A2ULK1NR4A2
SCHEMBL4403101 0.85 ALOX15 (0.54) HRH4CYP1A2KDM4EALDH1A1HPGD
SCHEMBL19332468 0.84 RAB9A (0.48) HRH4XDHCYP1A2ULK1NR4A2
SCHEMBL11965473 0.84 CYP1A2 (0.45) HRH4XDHCYP1A2ULK1NR4A2
SCHEMBL11965472 0.82 GAA (0.47) IDO1XDHCYP1A2ULK1FLT3
SCHEMBL24021051 0.82 FLT3 (0.44) HRH4XDHCYP1A2ULK1NR4A2
SCHEMBL19332337 0.82 CYP1A2 (0.44) HRH4XDHCYP1A2ULK1NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2078029-B1 ENANTIOMERICALLY PURE PHOSPHOINDOLE AS HIV INHIBITOR IDENIX PHARMACEUTICALS INC (US) 2014-05-14 — — EP disclosed
US-8486991-B2 Enantiomerically pure phosphoindoles as HIV inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-07-16 — — US disclosed
US-8486991-B2 Enantiomerically pure phosphoindoles as HIV inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-07-16 — — US disclosed
EP-1405852-B9 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-03-27 — — EP disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 — — EP disclosed
EP-1405852-B1 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-08-01 — — EP disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 — — US disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 — — US disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 — — US disclosed
US-20110257129-A1 ENANTIOMERICALLY PURE PHOSPHOINDOLES AS HIV INHIBITORS IDENIX PHARMACEUTICALS, INC. 2011-10-20 — — US disclosed
US-20080015215-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-17 — — US disclosed
US-20080015215-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-17 — — US disclosed
US-20080015215-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-17 — — US disclosed
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-09 — — US disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 — — US disclosed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 — — EP disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 — — US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 — — US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 — — EP disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 — — EP 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 (7 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-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X F2, C1S, C9 HRH4 94/4885IDO1 2594/4885XDH 1109/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R HRH4 128/4885IDO1 1392/4885XDH 2302/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R HRH4 128/4885IDO1 1392/4885XDH 2302/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R HRH4 128/4885IDO1 1392/4885XDH 2302/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R HRH4 128/4885IDO1 1392/4885XDH 2302/4885
US-20110257129-A1 ENANTIOMERICALLY PURE PHOSPHOINDOLES AS HIV INHIBITORS DUSP3, PNP, PPP5C HRH4 2729/4885IDO1 139/4885XDH 1745/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R HRH4 78/4885IDO1 1600/4885XDH 2647/4885

“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.