SCHEMBL4913281

SCHEMBL4913281

CNC(=O)c1cccc2c(Nc3cc(C)cc(NC(=O)Nc4ccc(N(CCCl)CCCl)cc4)c3)c3cccc(C)c3nc12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.40
FLT1 P17948 1/20 0.39
KDR P35968 1/20 0.39
EGFR P00533 2/20 0.38
ERBB2 P04626 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
ABL1 P00519 1/20 0.36
NPC1 O15118 1/20 0.35
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
PARP1 P09874 1/20 0.34
SAE1 Q9UBE0 1/20 0.34
UBA2 Q9UBT2 1/20 0.34

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
SCHEMBL4912374 0.93 TOP2A (0.41) KDM1AFLT1KDREGFRERBB2
SCHEMBL4911115 0.92 KDR (0.41) KDM1AKDREGFRERBB2MEN1
SCHEMBL4912634 0.92 FLT1 (0.45) KDM1AFLT1KDREGFRERBB2
SCHEMBL4910330 0.91 KDM1A (0.42) KDM1AEGFRERBB2MEN1KMT2A
SCHEMBL4912713 0.91 KDM1A (0.40) KDM1AFLT1KDREGFRERBB2
SCHEMBL4910353 0.90 EGFR (0.42) KDM1AFLT1KDREGFRERBB2
SCHEMBL4912287 0.90 ABL1 (0.41) KDM1AFLT1KDREGFRERBB2
SCHEMBL4909678 0.90 KDM1A (0.35) KDM1AEGFRERBB2MEN1KMT2A
SCHEMBL4914057 0.89 ABL1 (0.45) KDM1AFLT1KDREGFRERBB2
SCHEMBL4912596 0.87 KDM1A (0.54) KDM1AKMT2APOLBPARP1

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 KDM1A 722/4885FLT1 2294/4885KDR 1922/4885

“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.