SCHEMBL4910143

SCHEMBL4910143

CNC(=O)c1cccc2c(NC(=O)Oc3ccc(N(CCCl)CCCl)cc3)c3cccc(C)c3nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.40
ERBB2 P04626 2/20 0.40
MTNR1A P48039 1/20 0.33
PLK1 P53350 1/20 0.33
PIM1 P11309 5/20 0.33
PIM2 Q9P1W9 5/20 0.33
BAD Q92934 3/20 0.33
RAD52 P43351 1/20 0.33
POLB P06746 2/20 0.32
AR P10275 1/20 0.32
KDM1A O60341 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
GFER P55789 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
FLT3 P36888 3/20 0.32

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 0.89 KDM1A (0.35) EGFRERBB2PIM1PIM2BAD
SCHEMBL4912156 0.89 PIM1 (0.39) EGFRERBB2MTNR1APLK1PIM1
SCHEMBL4910224 0.89 EGFR (0.42) EGFRERBB2PLK1RAD52POLB
SCHEMBL4903077 0.89 RAD52 (0.47) EGFRERBB2RAD52KDM4EALDH1A1
SCHEMBL4914095 0.88 ABL1 (0.42) EGFRERBB2PIM1PIM2KDM1A
SCHEMBL4907520 0.88 ABL1 (0.39) EGFRERBB2PIM1PIM2KDM1A
SCHEMBL4909340 0.88 MTNR1A (0.36) EGFRERBB2MTNR1APIM1PIM2
SCHEMBL4937115 0.87 TOP2A (0.38) EGFRERBB2PIM1PIM2BAD
SCHEMBL4910353 0.86 EGFR (0.42) EGFRERBB2PLK1PIM1PIM2
SCHEMBL4906443 0.86 KDM1A (0.45) EGFRERBB2POLBKDM1AKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 EGFR 896/4885ERBB2 544/4885MTNR1A 3721/4885

“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.