SCHEMBL4903072

SCHEMBL4903072

O=C(Nc1ccc(N(CCCl)CCCl)cc1)Nc1cc(-c2cc(Cl)cc(Cl)c2)nc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 5/20 0.54
S1PR1 P21453 1/20 0.47
OPRD1 P41143 1/20 0.47
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46
CNR1 P21554 1/20 0.44
MOK Q9UQ07 4/20 0.43
CYP3A4 P08684 1/20 0.43
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL4915694 0.92 IGF1R (0.53) IGF1RS1PR1OPRD1HTR2CHTR2B
SCHEMBL4911277 0.92 IGF1R (0.60) IGF1RS1PR1OPRD1HTR2CHTR2B
SCHEMBL4914944 0.92 IGF1R (0.53) IGF1RS1PR1OPRD1HTR2CHTR2B
SCHEMBL4910305 0.89 IGF1R (0.48) IGF1RS1PR1OPRD1HTR2CHTR2B
SCHEMBL4911479 0.89 KMT2A (0.55) IGF1RS1PR1OPRD1HTR2CHTR2B
SCHEMBL4909254 0.88 IGF1R (0.52) IGF1RS1PR1OPRD1HTR2CHTR2B
SCHEMBL4911155 0.88 IGF1R (0.49) IGF1RS1PR1OPRD1HTR2CHTR2B
SCHEMBL4911609 0.87 IGF1R (0.48) IGF1RS1PR1OPRD1HTR2CHTR2B
SCHEMBL4912812 0.87 KMT2A (0.49) IGF1RS1PR1OPRD1HTR2CHTR2B
SCHEMBL4911258 0.87 CYP3A4 (0.52) IGF1RS1PR1OPRD1HTR2CHTR2B

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 IGF1R 3991/4885S1PR1 4877/4885OPRD1 3621/4885

“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.