Sugi Predict

Sugi Predict / Compounds / SCHEMBL2197223

SCHEMBL2197223

SCHEMBL2197223

CN(C)[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2nnc(-c3ccc(NC(=O)[C@@H]4CCCN4C(=O)[C@H](c4ccccc4)N(C)C)cc3)o2)cc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.56
▸ ALDH1A1 P00352 4/20 0.48
▸ HPGD P15428 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ CYP2C9 P11712 6/20 0.46
▸ CYP2C19 P33261 6/20 0.46
▸ CYP3A4 P08684 5/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ PABPC1 P11940 1/20 0.42

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
SCHEMBL14723756 0.90 KCNH2 (0.67) KCNH2ALDH1A1KDM4ELMNACYP2C9
SCHEMBL14723755 0.90 KCNH2 (0.67) KCNH2ALDH1A1KDM4ELMNACYP2C9
SCHEMBL17474761 0.90 KCNH2 (0.67) KCNH2ALDH1A1KDM4ELMNACYP2C9
SCHEMBL17488508 0.90 KCNH2 (0.67) KCNH2ALDH1A1KDM4ELMNACYP2C9
SCHEMBL2195528 0.90 KCNH2 (0.59) KCNH2ALDH1A1HSD17B10KDM4ELMNA
SCHEMBL2194641 0.89 KCNH2 (0.52) KCNH2ALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL16495777 0.89 KCNH2 (0.52) KCNH2ALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL2194642 0.89 KCNH2 (0.52) KCNH2ALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL14648068 0.87 KCNH2 (0.57) KCNH2ALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL14648093 0.87 KCNH2 (0.57) KCNH2ALDH1A1HPGDSMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 — — US claimed
EP-2519506-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2012-11-07 — — EP claimed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 — — US claimed
WO-2011082077-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-07 — — WO claimed
US-8735398-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-27 — — US disclosed
US-20130085147-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 — — US disclosed
US-8362020-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 — — US disclosed
US-20110294819-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 — — 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 (2 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-20110294819-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 KCNH2 4617/4885ALDH1A1 3778/4885HPGD 3682/4885
US-20130085147-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 KCNH2 4617/4885ALDH1A1 3778/4885HPGD 3682/4885

“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.