SCHEMBL4910112

SCHEMBL4910112

O=C(Nc1ccc(N(CCCl)CCCl)cc1)Nc1cc(-c2cccc(F)c2)nc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 2/20 0.47
▸ IGF1R P08069 6/20 0.47
▸ ACP1 P24666 2/20 0.45
▸ S1PR1 P21453 1/20 0.44
▸ OPRD1 P41143 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ HTR2B P41595 1/20 0.44
▸ CNR1 P21554 1/20 0.44
▸ CYP3A4 P08684 1/20 0.43
▸ EGFR P00533 1/20 0.43
▸ ERBB2 P04626 1/20 0.43
▸ ABCB1 P08183 1/20 0.42
▸ ABCC1 P33527 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ MOK Q9UQ07 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
SCHEMBL4910305 0.93 IGF1R (0.48) IGF1RS1PR1OPRD1HTR2CHTR2B
SCHEMBL4914944 0.91 IGF1R (0.53) ABCG2IGF1RACP1S1PR1OPRD1
SCHEMBL4912812 0.91 KMT2A (0.49) IGF1RACP1S1PR1OPRD1HTR2C
SCHEMBL4915694 0.90 IGF1R (0.53) IGF1RACP1S1PR1OPRD1HTR2C
SCHEMBL4909854 0.89 MEN1 (0.50) ABCG2IGF1RACP1S1PR1OPRD1
SCHEMBL4912729 0.89 IGF1R (0.47) ABCG2IGF1RS1PR1OPRD1HTR2C
SCHEMBL4911155 0.89 IGF1R (0.49) IGF1RS1PR1OPRD1HTR2CHTR2B
SCHEMBL4904606 0.87 MAPT (0.44) IGF1RCNR1CYP3A4MEN1KMT2A
SCHEMBL4912295 0.87 IGF1R (0.48) IGF1RACP1S1PR1OPRD1HTR2C
SCHEMBL4907465 0.86 IGF1R (0.53) ABCG2IGF1RACP1S1PR1OPRD1

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 ABCG2 112/4885IGF1R 3991/4885ACP1 816/4885

“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.

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