SCHEMBL4913240

SCHEMBL4913240

COc1cccc2c(Nc3ccc(C)c(NC(=O)Oc4ccc(N(CCCl)CCCl)cc4)c3)c3ccccc3nc12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 8/20 0.50
PARP1 P09874 2/20 0.43
EGFR P00533 5/20 0.38
KDR P35968 4/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TOP2A P11388 1/20 0.38
TOP2B Q02880 1/20 0.38
KIT P10721 1/20 0.37
PDGFRA P16234 1/20 0.37
ABL1 P00519 1/20 0.37
MAPK14 Q16539 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
SCHEMBL4912617 0.94 KDM1A (0.48) KDM1APARP1KDM4ETP53POLB
SCHEMBL4910913 0.94 KDM1A (0.51) KDM1APARP1POLBMAPTTOP2A
SCHEMBL4906258 0.92 KDM1A (0.48) KDM1APARP1EGFRKDM4EPOLB
SCHEMBL4909549 0.91 KDM1A (0.46) KDM1APARP1KDM4ETP53POLB
SCHEMBL4907440 0.91 KDM1A (0.53) KDM1APARP1
SCHEMBL4914818 0.91 KDM1A (0.45) KDM1AKDM4EPOLBMAPTSMN1; SMN2
SCHEMBL4913235 0.89 KDM1A (0.40) KDM1APARP1EGFRKDM4EPOLB
SCHEMBL4912187 0.88 KDM1A (0.49) KDM1APARP1POLBSMN1; SMN2TOP2A
SCHEMBL4910088 0.88 KDM1A (0.51) KDM1APARP1POLBMAPTSMN1; SMN2
SCHEMBL4938671 0.88 KMT2A (0.47) KDM1AKDM4EPOLBMAPTSMN1; SMN2

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 722/4885PARP1 778/4885EGFR 896/4885

“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.