SCHEMBL4905045

SCHEMBL4905045

NNC(=O)Nc1ccc(N(CCCl)CCCl)c(-c2cc(-c3ccc(F)c(F)c3)nc3ccccc23)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 2/20 0.38
MOK Q9UQ07 8/20 0.37
CNR1 P21554 1/20 0.37
TP53 P04637 1/20 0.37
KMT2A Q03164 4/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ACP1 P24666 1/20 0.36
KDM4E B2RXH2 1/20 0.35
PDE10A Q9Y233 1/20 0.35
GRM2 Q14416 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL4911275 0.91 KMT2A (0.44) MOKKMT2AMAPTMEN1NPSR1
SCHEMBL4913215 0.91 CNR1 (0.43) MOKCNR1KMT2AMAPTMEN1
SCHEMBL4909862 0.90 MAPT (0.42) MOKCNR1KMT2AMAPTMEN1
SCHEMBL4910503 0.90 ABCG2 (0.40) MOKCNR1KMT2AMAPTMEN1
SCHEMBL4910628 0.90 KMT2A (0.41) MOKKMT2AMAPTMEN1NPSR1
SCHEMBL4911104 0.90 KMT2A (0.38) MOKCNR1KMT2AMAPTMEN1
SCHEMBL4913307 0.89 MAPT (0.49) MOKCNR1KMT2AMAPTMEN1
SCHEMBL4912939 0.89 MAPT (0.47) CNR1KMT2AMAPTMEN1NPSR1
SCHEMBL4914080 0.89 TACR3 (0.41) TP53KMT2AMAPTMEN1HTT
SCHEMBL4910685 0.89 MAPT (0.40) MOKCNR1KMT2AMAPTMEN1

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 TOP1 45/4885MOK 4566/4885CNR1 2005/4885

“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.