SCHEMBL4911115

SCHEMBL4911115

CNC(=O)c1cccc2c(Nc3cc(NC(=O)Nc4ccc(N(CCCl)CCCl)cc4)cc(OC)c3)c3cccc(C)c3nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.41
KDM1A O60341 2/20 0.38
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MTNR1A P48039 1/20 0.35
IGF1R P08069 1/20 0.35
PIM1 P11309 1/20 0.35
FLT3 P36888 1/20 0.35
BAD Q92934 1/20 0.35

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
SCHEMBL4911417 0.94 KDR (0.41) KDRKDM1AEGFRERBB2MAPT
SCHEMBL4912623 0.92 KDM1A (0.39) KDRKDM1AMAPTSMN1; SMN2NPC1
SCHEMBL4913281 0.92 KDM1A (0.40) KDRKDM1AEGFRERBB2NPC1
SCHEMBL4909340 0.92 MTNR1A (0.36) KDRKDM1AEGFRERBB2MAPT
SCHEMBL4912713 0.90 KDM1A (0.40) KDRKDM1AEGFRERBB2PIM1
SCHEMBL4912374 0.90 TOP2A (0.41) KDRKDM1AEGFRERBB2NPC1
SCHEMBL4912997 0.88 RUVBL1 (0.39) KDM1AEGFRERBB2MAPTSMN1; SMN2
SCHEMBL4904496 0.88 KDM1A (0.51) KDRKDM1AIGF1R
SCHEMBL4909247 0.88 ABL1 (0.38) EGFRERBB2MAPTSMN1; SMN2KDM4E
SCHEMBL4910353 0.87 EGFR (0.42) KDRKDM1AEGFRERBB2MAPT

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 KDR 1922/4885KDM1A 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.