SCHEMBL4909694

SCHEMBL4909694

COc1ccc(NC(=O)Nc2ccc(N(CCCl)CCCl)cc2)cc1Nc1c2cccc(C)c2nc2c(C(=O)O)cccc12

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.40
MAPT P10636 4/20 0.38
KDM4E B2RXH2 2/20 0.38
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
ABL1 P00519 1/20 0.37

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
SCHEMBL4907580 0.94 IDO1 (0.43) IDO1MAPTKDM4ETP53
SCHEMBL4902270 0.94 KDM1A (0.42) IDO1MAPTKDM4ETP53SMN1; SMN2
SCHEMBL4909247 0.92 ABL1 (0.38) MAPTKDM4ETP53SMN1; SMN2POLB
SCHEMBL4909986 0.91 KDM1A (0.45) IDO1MAPTKDM4ETP53SMN1; SMN2
SCHEMBL4908949 0.91 ABL1 (0.45) IDO1ABL1
SCHEMBL4912880 0.91 ABL1 (0.42) IDO1ABL1
SCHEMBL4909277 0.88 IDO1 (0.44) IDO1MAPTKDM4E
SCHEMBL4912623 0.87 KDM1A (0.39) IDO1MAPTKDM4ETP53SMN1; SMN2
SCHEMBL4904603 0.87 KDM1A (0.42) IDO1MAPTKDM4ESMN1; SMN2ABL1
SCHEMBL4912997 0.87 RUVBL1 (0.39) IDO1MAPTTP53SMN1; SMN2POLB

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 IDO1 2733/4885MAPT 3066/4885KDM4E 873/4885

“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.