SCHEMBL4909862

SCHEMBL4909862

NNC(=O)Nc1ccc(N(CCCl)CCCl)c(-c2cc(-c3ccccc3)nc3ccccc23)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ABCB1 P08183 1/20 0.41
ABCC1 P33527 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
CYP3A4 P08684 3/20 0.41
MOK Q9UQ07 4/20 0.41
TACR3 P29371 5/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
ACACA Q13085 1/20 0.39
CNR1 P21554 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
SCHEMBL4913215 0.94 CNR1 (0.43) MAPTHTTNPSR1MOKTACR3
SCHEMBL4911275 0.94 KMT2A (0.44) MAPTHTTNPSR1MOKMEN1
SCHEMBL4910628 0.94 KMT2A (0.41) MAPTNPSR1MOKMEN1KMT2A
SCHEMBL4912443 0.94 CYP3A4 (0.46) MAPTHTTCYP3A4MOKTACR3
SCHEMBL4912939 0.93 MAPT (0.47) MAPTHTTNPSR1TACR3MEN1
SCHEMBL4910685 0.93 MAPT (0.40) MAPTHTTNPSR1ABCB1ABCC1
SCHEMBL4910503 0.92 ABCG2 (0.40) MAPTHTTNPSR1ABCB1ABCC1
SCHEMBL4913421 0.92 MEN1 (0.44) MAPTHTTNPSR1ABCB1ABCC1
SCHEMBL4912715 0.92 CA12 (0.45) MAPTHTTNPSR1ABCB1ABCC1
SCHEMBL4911104 0.92 KMT2A (0.38) MAPTHTTNPSR1ABCB1ABCC1

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.