SCHEMBL4905104

SCHEMBL4905104

COc1ccc(-c2cc(NC(=O)Nc3ccc(N(CCCl)CCCl)cc3)c3ccccc3n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 1/20 0.60
▸ ACP1 P24666 14/20 0.54
▸ CYP3A4 P08684 2/20 0.54
▸ MEN1 O00255 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ KMT2A Q03164 1/20 0.51

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
SCHEMBL4905092 0.93 IGF1R (0.55) IGF1RACP1CYP3A4MEN1KMT2A
SCHEMBL4911441 0.92 PLA2G2A (0.49) IGF1RACP1CYP3A4MEN1NPC1
SCHEMBL4906243 0.92 TACR3 (0.50) IGF1RACP1CYP3A4NPC1RAB9A
SCHEMBL4907465 0.91 IGF1R (0.53) IGF1RACP1CYP3A4MEN1KMT2A
SCHEMBL4914944 0.91 IGF1R (0.53) IGF1RACP1CYP3A4MEN1KMT2A
SCHEMBL4911258 0.90 CYP3A4 (0.52) IGF1RACP1CYP3A4KMT2A
SCHEMBL4912698 0.89 KDM4E (0.54) IGF1RMEN1KMT2A
SCHEMBL4911277 0.89 IGF1R (0.60) IGF1RACP1CYP3A4MEN1KMT2A
SCHEMBL4911285 0.89 PLA2G2A (0.52) IGF1RACP1CYP3A4NPC1RAB9A
SCHEMBL4912812 0.88 KMT2A (0.49) IGF1RACP1CYP3A4MEN1KMT2A

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 3991/4885ACP1 816/4885CYP3A4 1084/4885

“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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