SCHEMBL4910685

SCHEMBL4910685

NNC(=O)Nc1ccc(N(CCCl)CCCl)c(-c2cc(-c3cc(Cl)cc(Cl)c3)nc3ccccc23)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
NPSR1 Q6W5P4 3/20 0.40
HTT P42858 1/20 0.40
CNR1 P21554 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GFER P55789 1/20 0.37
MOK Q9UQ07 2/20 0.37
IGF1R P08069 1/20 0.37
ALOX5 P09917 2/20 0.37
EPHX2 P34913 2/20 0.37
TACR3 P29371 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL4912939 0.93 MAPT (0.47) MAPTNPSR1HTTCNR1MEN1
SCHEMBL4913215 0.93 CNR1 (0.43) MAPTNPSR1HTTCNR1MEN1
SCHEMBL4909862 0.93 MAPT (0.42) MAPTNPSR1HTTCNR1MEN1
SCHEMBL4911104 0.90 KMT2A (0.38) MAPTNPSR1HTTCNR1MEN1
SCHEMBL4913307 0.90 MAPT (0.49) MAPTNPSR1HTTCNR1MEN1
SCHEMBL4911742 0.89 MEN1 (0.40) MAPTNPSR1HTTCNR1MEN1
SCHEMBL4905045 0.89 TOP1 (0.38) MAPTNPSR1HTTCNR1MEN1
SCHEMBL4911275 0.89 KMT2A (0.44) MAPTNPSR1HTTMEN1KMT2A
SCHEMBL4912443 0.89 CYP3A4 (0.46) MAPTHTTMEN1KMT2APOLB
SCHEMBL4908802 0.89 MEN1 (0.42) MAPTNPSR1HTTCNR1MEN1

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 MAPT 3066/4885NPSR1 4536/4885HTT 515/4885

“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.