SCHEMBL4910138

SCHEMBL4910138

Cc1ccc(NC(=O)Nc2ccc(N(CCCl)CCCl)cc2)cc1Nc1c2ccccc2nc2c(C(=O)O)cccc12

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.44
KDM1A O60341 4/20 0.43
BCR P11274 1/20 0.40
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 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
SCHEMBL4911309 0.94 KDM1A (0.44) ABL1KDM1AMEN1NPC1KMT2A
SCHEMBL4909827 0.93 KDM1A (0.51) ABL1KDM1ABCREGFRERBB2
SCHEMBL4902283 0.93 ABL1 (0.44) ABL1KDM1ABCREGFRERBB2
SCHEMBL4908949 0.92 ABL1 (0.45) ABL1KDM1ABCREGFRERBB2
SCHEMBL4913007 0.89 KDM1A (0.52) ABL1KDM1A
SCHEMBL4909986 0.89 KDM1A (0.45) KDM1AMEN1KMT2AHTR2CHTR2B
SCHEMBL4912880 0.89 ABL1 (0.42) ABL1KDM1A
SCHEMBL4908237 0.87 KDM1A (0.52) KDM1AMEN1NPC1KMT2AHTR2C
SCHEMBL4913385 0.87 KDM1A (0.46) KDM1AKMT2A
SCHEMBL4912881 0.87 KDM1A (0.42) ABL1KDM1AEGFRERBB2MEN1

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 722/4885BCR 587/4885

“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.