SCHEMBL4912880

SCHEMBL4912880

COc1cccc2c(Nc3cc(NC(=O)Nc4ccc(N(CCCl)CCCl)cc4)ccc3C)c3cccc(C(=O)O)c3nc12

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.42
KDM1A O60341 1/20 0.41
IDO1 P14902 1/20 0.40
ATP4A P20648 1/20 0.39
ATP4B P51164 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
SCHEMBL4912315 0.94 KDM1A (0.42) ABL1KDM1AIDO1
SCHEMBL4902270 0.94 KDM1A (0.42) KDM1AIDO1
SCHEMBL4912138 0.92 ABL1 (0.43) ABL1
SCHEMBL4913007 0.91 KDM1A (0.52) ABL1KDM1A
SCHEMBL4908949 0.91 ABL1 (0.45) ABL1KDM1AIDO1
SCHEMBL4909694 0.91 IDO1 (0.40) ABL1IDO1
SCHEMBL4909277 0.90 IDO1 (0.44) KDM1AIDO1
SCHEMBL4910138 0.89 ABL1 (0.44) ABL1KDM1A
SCHEMBL4909587 0.88 KDM1A (0.42) KDM1AIDO1
SCHEMBL4908894 0.88 KDM1A (0.43) KDM1AIDO1

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 ABL1 679/4885KDM1A 722/4885IDO1 2733/4885

“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.