SCHEMBL4912812

SCHEMBL4912812

O=C(Nc1ccc(N(CCCl)CCCl)cc1)Nc1cc(-c2ccc(F)cc2)nc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ IGF1R P08069 4/20 0.48
▸ MOK Q9UQ07 8/20 0.47
▸ ACP1 P24666 2/20 0.47
▸ S1PR1 P21453 1/20 0.46
▸ OPRD1 P41143 1/20 0.46
▸ HTR2C P28335 1/20 0.45
▸ HTR2B P41595 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ PDE10A Q9Y233 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ LMNA P02545 1/20 0.44

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
SCHEMBL4914944 0.93 IGF1R (0.53) KMT2AMEN1IGF1RMOKACP1
SCHEMBL4910305 0.92 IGF1R (0.48) KMT2AMEN1IGF1RMOKS1PR1
SCHEMBL4911277 0.91 IGF1R (0.60) KMT2AMEN1IGF1RMOKACP1
SCHEMBL4910112 0.91 ABCG2 (0.47) KMT2AMEN1IGF1RMOKACP1
SCHEMBL4911155 0.91 IGF1R (0.49) KMT2AIGF1RMOKS1PR1OPRD1
SCHEMBL4911609 0.90 IGF1R (0.48) KMT2AMEN1IGF1RMOKACP1
SCHEMBL4911258 0.90 CYP3A4 (0.52) KMT2AIGF1RMOKACP1S1PR1
SCHEMBL4905104 0.88 IGF1R (0.60) KMT2AMEN1IGF1RACP1CYP3A4
SCHEMBL4915689 0.88 IGF1R (0.48) KMT2AMEN1IGF1RACP1S1PR1
SCHEMBL4908240 0.88 IGF1R (0.46) KMT2AMEN1IGF1RACP1S1PR1

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 KMT2A 876/4885MEN1 4701/4885IGF1R 3991/4885

“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.

Send feedback