SCHEMBL4911275

SCHEMBL4911275

NNC(=O)Nc1ccc(N(CCCl)CCCl)c(-c2cc(-c3ccc(F)cc3)nc3ccccc23)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MOK Q9UQ07 8/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
PDGFRB P09619 1/20 0.40
KDR P35968 1/20 0.40
FLT3 P36888 1/20 0.40
ACP1 P24666 1/20 0.39
GRM2 Q14416 1/20 0.39
KDM4E B2RXH2 2/20 0.39
DHODH Q02127 1/20 0.38
PDE10A Q9Y233 1/20 0.38
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SCN9A Q15858 1/20 0.37

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
SCHEMBL4909862 0.94 MAPT (0.42) KMT2AMEN1MOKMAPTHTT
SCHEMBL4911104 0.93 KMT2A (0.38) KMT2AMEN1MOKMAPTGRM2
SCHEMBL4913215 0.92 CNR1 (0.43) KMT2AMEN1MOKLMNAMAPT
SCHEMBL4910503 0.91 ABCG2 (0.40) KMT2AMEN1MOKLMNAMAPT
SCHEMBL4905045 0.91 TOP1 (0.38) KMT2AMEN1MOKMAPTACP1
SCHEMBL4912443 0.91 CYP3A4 (0.46) KMT2AMEN1MOKLMNAMAPT
SCHEMBL4910628 0.91 KMT2A (0.41) KMT2AMEN1MOKLMNAMAPT
SCHEMBL4910557 0.90 GRM2 (0.36) KMT2AMEN1LMNAMAPTACP1
SCHEMBL4906265 0.90 GRM2 (0.38) KMT2AMEN1MAPTACP1GRM2
SCHEMBL4914093 0.89 MEN1 (0.48) KMT2AMEN1MAPTACP1KDM4E

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 KMT2A 876/4885MEN1 4701/4885MOK 4566/4885

“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.