SCHEMBL4912997

SCHEMBL4912997

CNC(=O)c1cccc2c(Nc3ccc(OC)c(NC(=O)Nc4ccc(N(CCCl)CCCl)cc4)c3)c3cccc(C)c3nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RUVBL1 Q9Y265 1/20 0.39
PYGL P06737 1/20 0.38
POLB P06746 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 6/20 0.37
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
ALDH1A1 P00352 1/20 0.37
IDO1 P14902 2/20 0.37
PIM1 P11309 1/20 0.37
FLT3 P36888 1/20 0.37
BAD Q92934 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
RAF1 P04049 1/20 0.37
TP53 P04637 2/20 0.36
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
MAPK1 P28482 1/20 0.36
EGFR P00533 1/20 0.36

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
SCHEMBL4909247 0.95 ABL1 (0.38) PYGLPOLBMAPTPIM1FLT3
SCHEMBL4905071 0.94 KDM1A (0.40) RUVBL1PYGLPOLBGAAMAPT
SCHEMBL4907580 0.92 IDO1 (0.43) RUVBL1GAAMAPTMEN1KMT2A
SCHEMBL4912287 0.91 ABL1 (0.41) GAAMAPTMEN1KMT2AALDH1A1
SCHEMBL4907334 0.91 MAPT (0.37) POLBGAAMAPTMEN1KMT2A
SCHEMBL4912172 0.88 PIM1 (0.40) RUVBL1PYGLPOLBGAAMAPT
SCHEMBL4904595 0.88 KDM1A (0.48) MAPTMEN1KMT2AALDH1A1KDM1A
SCHEMBL4911115 0.88 KDR (0.41) GAAMAPTMEN1KMT2AALDH1A1
SCHEMBL4914057 0.87 ABL1 (0.45) GAAMAPTMEN1KMT2AALDH1A1
SCHEMBL4912138 0.87 ABL1 (0.43) PIM1FLT3BADPIM2ABL1

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 RUVBL1 2389/4885PYGL 298/4885POLB 150/4885

“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.