SCHEMBL4907445

SCHEMBL4907445

CNC(=O)c1cccc2c(NC(=O)Nc3ccc(N(CCCl)CCCl)cc3)c3ccccc3nc12

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.44
ERBB2 P04626 2/20 0.44
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM1A O60341 2/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
KDR P35968 3/20 0.41
FLT1 P17948 1/20 0.41
RAB9A P51151 1/20 0.40
NOX1 Q9Y5S8 1/20 0.40
ADORA3 P0DMS8 1/20 0.40

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
SCHEMBL4904734 0.90 EGFR (0.45) EGFRERBB2MEN1NPC1KMT2A
SCHEMBL4912634 0.89 FLT1 (0.45) EGFRERBB2KMT2AKDM1AKDR
SCHEMBL4910353 0.89 EGFR (0.42) EGFRERBB2MEN1NPC1KMT2A
SCHEMBL4902283 0.88 ABL1 (0.44) EGFRERBB2MEN1NPC1KMT2A
SCHEMBL4912881 0.87 KDM1A (0.42) EGFRERBB2MEN1NPC1KMT2A
SCHEMBL4910017 0.87 TOP2A (0.49) KDM1AKDRFLT1
SCHEMBL4907647 0.87 KDM1A (0.53) EGFRERBB2MEN1NPC1KMT2A
SCHEMBL4910224 0.86 EGFR (0.42) EGFRERBB2MEN1KMT2AKDM1A
SCHEMBL4935599 0.86 EGFR (0.40) EGFRERBB2MEN1NPC1KMT2A
SCHEMBL4907330 0.85 EGFR (0.49) EGFRERBB2MEN1NPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 EGFR 896/4885ERBB2 544/4885MEN1 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.