SCHEMBL4912876

SCHEMBL4912876

COc1ccc(-c2cc(-c3cc(NC(=O)NN)ccc3N(CCCl)CCCl)c3ccc(OC)cc3n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 6/20 0.42
MOK Q9UQ07 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PLA2G2A P14555 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP3A4 P08684 1/20 0.38
KDR P35968 4/20 0.38
KDM4E B2RXH2 1/20 0.38
FLT3 P36888 1/20 0.38

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
SCHEMBL4912691 0.93 PLA2G2A (0.46) MEN1KMT2APLA2G2ANPC1RAB9A
SCHEMBL4914093 0.92 MEN1 (0.48) TACR3MEN1KMT2ANPC1RAB9A
SCHEMBL4911269 0.90 IGF1R (0.40) MEN1KMT2AKDM4E
SCHEMBL4909242 0.89 PLA2G2A (0.42) MEN1KMT2APLA2G2AKDM4E
SCHEMBL4909318 0.89 PLA2G2A (0.49) MEN1KMT2APLA2G2ANPC1RAB9A
SCHEMBL4911300 0.86 KMT2A (0.47) MEN1KMT2ACYP3A4KDRKDM4E
SCHEMBL4912416 0.86 ALDH1A1 (0.49) MEN1KMT2APLA2G2AKDM4E
SCHEMBL4913202 0.85 CA2 (0.44) MEN1KMT2APLA2G2AKDM4E
SCHEMBL4913292 0.85 ATM (0.40) MEN1KMT2APLA2G2AKDM4E
SCHEMBL4908985 0.84 CA2 (0.49) MEN1KMT2AKDM4E

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-8222297-B2 e.g. 1-[3-(acridin-9-ylamino)-5-hydroxymethylphenyl]-3-{4-[bis(2-chloroethyl)amino]phenyl}urea; anticarcinogenic agent; improved chemical stability and efficacy; brain tumor, breast cancer, colon cancer, leukemia, and neuroblastoma ACADEMIA SINICA (TW) 2012-07-17 US disclosed
US-20080171765-A1 Aniline or phenol mustards linked to DNA-affinic molecules or water-soluble aromatic rings and their use as cancer therapeutic agents ACADEMIA SINICA (TW) 2008-07-17 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-20080171765-A1 Aniline or phenol mustards linked to DNA-affinic molecules or water-soluble aromatic rings and their use as cancer therapeutic agents WEE1, PCNA, ATIC TACR3 3450/4885MOK 4566/4885MEN1 4701/4885

“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.