SCHEMBL17488500

SCHEMBL17488500

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

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.65
CYP3A4 P08684 10/20 0.52
CYP2C9 P11712 10/20 0.52
NR1I2 O75469 1/20 0.52
ABCB11 O95342 1/20 0.52
OPRK1 P41145 1/20 0.52
CYP2C19 P33261 6/20 0.51
CYP1A2 P05177 4/20 0.51
CYP2D6 P10635 3/20 0.51
ELANE P08246 3/20 0.50
CMA1 P23946 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 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
SCHEMBL17488506 1.00 KCNH2 (0.65) KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL17490823 0.96 KCNH2 (0.70) KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL18648212 0.96 KCNH2 (0.70) KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL17490819 0.96 KCNH2 (0.70) KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL12034446 0.92 KCNH2 (0.74) KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL204291 0.91 KCNH2 (0.64) KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL2706552 0.91 KCNH2 (0.64) KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL15127355 0.89 KCNH2 (0.60) KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL12620507 0.89 KCNH2 (0.61) KCNH2CYP3A4CYP2C9NR1I2ABCB11
SCHEMBL12599764 0.89 KCNH2 (0.61) KCNH2CYP3A4CYP2C9NR1I2ABCB11

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 2 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-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

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 385/4885CYP3A4 261/4885CYP2C9 160/4885

“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.