SCHEMBL828601

SCHEMBL828601

O=C(O)N[C@@H](C(=O)N1CCCN1c1nc(-c2ccc(-c3ccc(-c4c[nH]c(N5CCCN5C(=O)[C@H](NC(=O)O)c5ccccc5)n4)cc3)cc2)c[nH]1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.37
▸ KLRK1 P26718 2/20 0.37
▸ MICA Q29983 2/20 0.37
▸ RAET1L Q5VY80 2/20 0.37
▸ MTTP P55157 6/20 0.35
▸ TACR3 P29371 8/20 0.34
▸ F10 P00742 2/20 0.34
▸ TACR2 P21452 2/20 0.32
▸ PREP P48147 1/20 0.32
▸ FAP Q12884 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ PMP22 Q01453 1/20 0.32

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
SCHEMBL824992 0.91 KCNH2 (0.48) KCNH2KLRK1MICARAET1LMTTP
SCHEMBL827540 0.91 KLRK1 (0.36) KCNH2KLRK1MICARAET1LMTTP
SCHEMBL827539 0.82 KCNH2 (0.32) KCNH2KLRK1MICARAET1LTACR3
SCHEMBL858133 0.80 KCNH2 (0.41) KCNH2MTTPTACR3TACR2KDM4E
SCHEMBL15841754 0.79 HSD17B10 (0.33) HSD17B10
SCHEMBL3060734 0.79 CYP3A4 (0.45) KCNH2CYP1A2CYP3A4
SCHEMBL31737531 0.78 F2 (0.37) KCNH2KLRK1MICARAET1LMTTP
SCHEMBL16223451 0.76 KCNH2 (0.45) KCNH2PREPFAPCYP3A4
SCHEMBL1478629 0.76 KCNH2 (0.45) KCNH2PREPFAPCYP3A4
SCHEMBL31738241 0.74 F2 (0.37) KCNH2KLRK1MICARAET1LMTTP

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
EP-2417126-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-07-02 — — EP claimed
US-20100260708-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-10-14 — — US claimed
EP-2417126-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-07-02 — — EP disclosed
US-8143301-B2 Hepatitis C virus inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2012-03-27 — — US disclosed
US-20100260708-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-10-14 — — 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 (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-20100260708-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS KCNH2 4523/4885KLRK1 1182/4885MICA 315/4885

“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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