SCHEMBL4909340

SCHEMBL4909340

CNC(=O)c1cccc2c(Nc3cc(NC(=O)Oc4ccc(N(CCCl)CCCl)cc4)cc(OC)c3)c3cccc(C)c3nc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.36
KDM1A O60341 2/20 0.35
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
MAPT P10636 5/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 2/20 0.34
PIM1 P11309 1/20 0.34
FLT3 P36888 1/20 0.34
BAD Q92934 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
TP53 P04637 2/20 0.33
TOP2A P11388 1/20 0.33
TOP2B Q02880 1/20 0.33
POLB P06746 1/20 0.33
RAD52 P43351 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL4909678 0.94 KDM1A (0.35) KDM1AEGFRERBB2MAPTALDH1A1
SCHEMBL4937115 0.92 TOP2A (0.38) KDM1AEGFRERBB2MAPTALDH1A1
SCHEMBL4913194 0.92 TOP2A (0.41) KDM1AMAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL4911115 0.92 KDR (0.41) MTNR1AKDM1AEGFRERBB2MAPT
SCHEMBL4902918 0.91 KDM1A (0.36) KDM1AEGFRERBB2MAPTPIM1
SCHEMBL4911394 0.91 RAD52 (0.46) KDM1AMAPTALDH1A1KDM4ETP53
SCHEMBL4902395 0.88 KDM1A (0.46) KDM1AMAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL4910521 0.88 TOP2A (0.37) MTNR1AKDM1AEGFRERBB2PIM1
SCHEMBL4905057 0.88 MAPT (0.37) MAPTSMN1; SMN2KDM4EPIM1FLT3
SCHEMBL4907334 0.88 MAPT (0.37) KDM1AEGFRERBB2MAPTSMN1; 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 MTNR1A 3721/4885KDM1A 722/4885EGFR 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.