SCHEMBL4935599

SCHEMBL4935599

CNC(=O)c1cccc2c(NC(=O)Nc3ccc(N(CCCl)CCCl)cc3)c3cccc(OC)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
PIM1 P11309 1/20 0.40
FLT3 P36888 1/20 0.40
BAD Q92934 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
HPSE Q9Y251 2/20 0.40
NPC1 O15118 3/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM1A O60341 1/20 0.39
KDR P35968 1/20 0.38
RAD52 P43351 1/20 0.38
SMARCA2 P51531 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 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
SCHEMBL4909587 0.91 KDM1A (0.42) EGFRERBB2HPSENPC1MAPT
SCHEMBL4912172 0.90 PIM1 (0.40) EGFRERBB2PIM1FLT3BAD
SCHEMBL4911417 0.90 KDR (0.41) EGFRERBB2PIM1FLT3BAD
SCHEMBL4912713 0.89 KDM1A (0.40) EGFRERBB2PIM1FLT3BAD
SCHEMBL4905071 0.89 KDM1A (0.40) EGFRERBB2PIM1FLT3BAD
SCHEMBL4912138 0.89 ABL1 (0.43) PIM1FLT3BADPIM2KDR
SCHEMBL4912853 0.88 KDM1A (0.39) EGFRERBB2PIM1FLT3BAD
SCHEMBL4910353 0.88 EGFR (0.42) EGFRERBB2PIM1PIM2HPSE
SCHEMBL4912156 0.88 PIM1 (0.39) EGFRERBB2PIM1FLT3BAD
SCHEMBL4908994 0.86 KDM1A (0.55) EGFRERBB2HPSENPC1MAPT

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 544/4885PIM1 1698/4885

“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.