SCHEMBL4912939

SCHEMBL4912939

NNC(=O)Nc1ccc(N(CCCl)CCCl)c(-c2cc(-c3cccc(Cl)c3)nc3ccccc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
GFER P55789 1/20 0.46
ACP1 P24666 6/20 0.44
CNR1 P21554 2/20 0.43
ALDH1A1 P00352 1/20 0.42
TACR3 P29371 1/20 0.42
TRPV1 Q8NER1 1/20 0.40
PDGFRB P09619 1/20 0.39
KDR P35968 1/20 0.39
FLT3 P36888 1/20 0.39

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
SCHEMBL4910685 0.93 MAPT (0.40) MAPTHTTNPSR1CA12CA1
SCHEMBL4909862 0.93 MAPT (0.42) MAPTHTTNPSR1CA12CA1
SCHEMBL4913215 0.91 CNR1 (0.43) MAPTHTTNPSR1CA12CA2
SCHEMBL4910503 0.91 ABCG2 (0.40) MAPTHTTNPSR1CA12CA1
SCHEMBL4912715 0.91 CA12 (0.45) MAPTHTTNPSR1CA12CA1
SCHEMBL4913421 0.91 MEN1 (0.44) MAPTHTTNPSR1MEN1KMT2A
SCHEMBL4913307 0.90 MAPT (0.49) MAPTHTTNPSR1MEN1KMT2A
SCHEMBL4905045 0.89 TOP1 (0.38) MAPTHTTNPSR1CA12CA1
SCHEMBL4908802 0.89 MEN1 (0.42) MAPTHTTNPSR1CA12CA2
SCHEMBL4911300 0.88 KMT2A (0.47) MAPTHTTMEN1KMT2AALDH1A1

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 3066/4885HTT 515/4885NPSR1 4536/4885

“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.