SCHEMBL18890607

SCHEMBL18890607

COc1ccc2[nH]c(-c3ccc(C)o3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 2/20 0.46
DNMT1 P26358 1/20 0.46
ALDH1A1 P00352 8/20 0.46
TP53 P04637 6/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
KDM4E B2RXH2 4/20 0.46
TSHR P16473 3/20 0.46
HSD17B10 Q99714 3/20 0.46
POLB P06746 3/20 0.46
USP2 O75604 1/20 0.46
NPC1 O15118 7/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
HPGD P15428 6/20 0.45
RAB9A P51151 6/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
MAPT P10636 4/20 0.44
PKM P14618 3/20 0.43

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
SCHEMBL18890609 0.89 NPC1 (0.58) AMY1AALDH1A1TP53MEN1KMT2A
SCHEMBL18890544 0.82 ALDH1A1 (0.49) ALDH1A1TP53MEN1KMT2AKDM4E
SCHEMBL1170729 0.82 ALDH1A1 (0.57) AMY1AALDH1A1TP53MEN1KMT2A
SCHEMBL18906377 0.80 ALDH1A1 (0.47) ALDH1A1TP53MEN1KMT2AKDM4E
SCHEMBL18906374 0.80 ALDH1A1 (0.47) AMY1AALDH1A1TP53MEN1KMT2A
SCHEMBL3340524 0.78 ALDH1A1 (0.58) AMY1AALDH1A1TP53MEN1KMT2A
SCHEMBL7038591 0.77 CHEK2 (0.56) ALDH1A1TP53MEN1KMT2AKDM4E
SCHEMBL18906373 0.77 ALDH1A1 (0.45) ALDH1A1TP53MEN1KMT2AKDM4E
SCHEMBL7033087 0.76 SMN1; SMN2 (0.53) ALDH1A1TP53KDM4EPOLBNPC1
SCHEMBL18890639 0.76 MMP2 (0.58) ALDH1A1TP53MEN1KMT2AKDM4E

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-20170152245-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR APPLICATION IN CARDIOVASCULAR DISEASES NATIONAL TAIWAN UNIVERSITY (TW) 2017-06-01 US disclosed
US-20170152245-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR APPLICATION IN CARDIOVASCULAR DISEASES NATIONAL TAIWAN UNIVERSITY (TW) 2017-06-01 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 (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-20170152245-A1 BENZIMIDAZOLE COMPOUNDS AND THEIR APPLICATION IN CARDIOVASCULAR DISEASES TNNI3, PDGFRA, PDGFRB AMY1A 3791/4885DNMT1 3607/4885ALDH1A1 219/4885

“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.