SCHEMBL14723756

SCHEMBL14723756

CN(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2ccc(NC(=O)[C@@H]3CCCN3C(=O)[C@@H](c3ccccc3)N(C)C)cc2)cc1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.67
CYP2C9 P11712 6/20 0.52
CYP2C19 P33261 6/20 0.52
CYP3A4 P08684 5/20 0.52
CYP2D6 P10635 2/20 0.52
CYP1A2 P05177 2/20 0.52
ALDH1A1 P00352 3/20 0.50
MAPK1 P28482 2/20 0.50
HTT P42858 1/20 0.50
PABPC1 P11940 1/20 0.48
EP300 Q09472 1/20 0.47
CREBBP Q92793 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.45
PORCN Q9H237 1/20 0.45

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
SCHEMBL14723755 1.00 KCNH2 (0.67) KCNH2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL17474761 1.00 KCNH2 (0.67) KCNH2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL17488508 1.00 KCNH2 (0.67) KCNH2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL14723751 0.95 KCNH2 (0.61) KCNH2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL14723748 0.95 KCNH2 (0.61) KCNH2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL2195528 0.93 KCNH2 (0.59) KCNH2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL14723749 0.91 KCNH2 (0.61) KCNH2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL13387931 0.91 KCNH2 (0.63) KCNH2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL845550 0.91 KCNH2 (0.56) KCNH2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL3043636 0.91 KCNH2 (0.56) KCNH2CYP2C9CYP2C19CYP3A4CYP2D6

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-9598362-B2 Benzidine derivative, method for preparing same, and pharmaceutical composition containing benzidine derivative for treating liver disease caused by hepatitis C virus SEOUL NATIONAL UNIVERSITY R&DB FOUNDATION (KR) 2017-03-21 US disclosed
US-9598362-B2 Benzidine derivative, method for preparing same, and pharmaceutical composition containing benzidine derivative for treating liver disease caused by hepatitis C virus SEOUL NATIONAL UNIVERSITY R&DB FOUNDATION (KR) 2017-03-21 US disclosed
US-20160031810-A1 BENZIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING BENZIDINE DERIVATIVE FOR TREATING LIVER DISEASE CAUSED BY HEPATITIS C VIRUS POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2016-02-04 US disclosed
US-20160031810-A1 BENZIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING BENZIDINE DERIVATIVE FOR TREATING LIVER DISEASE CAUSED BY HEPATITIS C VIRUS POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2016-02-04 US disclosed
US-8383094-B2 inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV); useful in establishing or determining the binding site of other antiviral compounds, for example, by competitive inhibition; used to treat or prevent viral contamination of materials BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-26 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-20160031810-A1 BENZIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING BENZIDINE DERIVATIVE FOR TREATING LIVER DISEASE CAUSED BY HEPATITIS C VIRUS ODC1, HAVCR2, PBDC1 KCNH2 385/4885CYP2C9 160/4885CYP2C19 438/4885

“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.