SCHEMBL1962300

SCHEMBL1962300

Brc1ccc(Cn2ccc3nc(COc4ccccc4)nc-3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
LTA4H P09960 1/20 0.39
CYP19A1 P11511 3/20 0.38
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
MAOB P27338 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
FLT1 P17948 1/20 0.36
KDR P35968 1/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36

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
SCHEMBL1961885 0.82 CYP11B1 (0.40) ALDH1A1KMT2ALMNALTA4HCYP19A1
SCHEMBL1959834 0.81 CYP11B1 (0.39) ALDH1A1KMT2ALTA4HCYP19A1CYP11B1
SCHEMBL1962576 0.79 NR1H3 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL1962391 0.79 CYP11B1 (0.38) KMT2ACYP19A1CYP11B1CYP11B2FLT1
SCHEMBL1959746 0.79 HMOX1 (0.39) KMT2ACYP19A1CYP11B1CYP11B2MAOB
SCHEMBL1958370 0.78 RAB9A (0.38) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL1960357 0.78 CYP11B1 (0.43) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL1958961 0.76 KDM4E (0.44) SMN1; SMN2KDM4EALDH1A1LMNACYP19A1
SCHEMBL2345290 0.74 AHR (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1CYP19A1
SCHEMBL1959938 0.74 CYP11B1 (0.43) NPC1RAB9AKDM4EKMT2ACYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2332938-B1 Viral inhibitors LEUVEN K U RES & DEV (BE) 2014-10-01 EP disclosed
US-8779141-B2 Viral inhibitors GILEAD SCIENCES, INC. (US) 2014-07-15 US disclosed
EP-1521754-B1 VIRAL INHIBITORS LEUVEN K U RES & DEV (BE) 2011-08-31 EP disclosed
EP-2332938-A1 Viral inhibitors K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2011-06-15 EP disclosed
US-7737162-B2 Viral inhibitors GILEAD SCIENCES, INC. (US) 2010-06-15 US disclosed
US-20100004281-A1 VIRAL INHIBITORS GILEAD SCIENCES, INC. 2010-01-07 US disclosed
US-20050239821-A1 Viral inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2005-10-27 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-20100004281-A1 VIRAL INHIBITORS ZC3HAV1, MAVS, HAVCR2 NPC1 607/4885RAB9A 1537/4885SMN1; SMN2 3179/4885
US-20050239821-A1 Viral inhibitors ZC3HAV1, ZC3HAV1L, ACE NPC1 562/4885RAB9A 2520/4885SMN1; SMN2 3260/4885

“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.