SCHEMBL4904496

SCHEMBL4904496

COc1cc(NC(=O)Nc2ccc(N(CCCl)CCCl)cc2)cc(Nc2c3ccccc3nc3c(C)cccc23)c1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 7/20 0.51
IGF1R P08069 1/20 0.44
PARP1 P09874 2/20 0.42
KDR P35968 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL4910324 0.93 KDM1A (0.55) KDM1AIGF1RPARP1KDR
SCHEMBL4910466 0.92 KDM1A (0.49) KDM1AIGF1RKDR
SCHEMBL4912596 0.91 KDM1A (0.54) KDM1APARP1CYP3A4CYP2C9
SCHEMBL4902395 0.91 KDM1A (0.46) KDM1APARP1CYP3A4CYP2C9
SCHEMBL4912623 0.91 KDM1A (0.39) KDM1AIGF1RKDR
SCHEMBL4913437 0.89 KDM1A (0.55) KDM1APARP1
SCHEMBL4907557 0.89 TOP2A (0.52) KDM1APARP1CYP3A4CYP2C9
SCHEMBL4911115 0.88 KDR (0.41) KDM1AIGF1RKDR
SCHEMBL4904595 0.88 KDM1A (0.48) KDM1AIGF1RPARP1CYP3A4CYP2C9
SCHEMBL4907647 0.87 KDM1A (0.53) KDM1APARP1KDR

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 KDM1A 722/4885IGF1R 3991/4885PARP1 778/4885

“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.