SCHEMBL4909655

SCHEMBL4909655

Cc1cccc2c(NC(=O)Nc3ccc(N(CCCl)CCCl)cc3)c3cccc(C(=O)O)c3nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.41
ERBB2 P04626 3/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
NPC1 O15118 2/20 0.40
KDR P35968 1/20 0.40
KDM1A O60341 2/20 0.40
RAB9A P51151 2/20 0.39
NOX1 Q9Y5S8 2/20 0.39
ALDH1A1 P00352 2/20 0.38
HPSE Q9Y251 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.37
IDO1 P14902 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
SCHEMBL4910353 0.90 EGFR (0.42) EGFRERBB2KMT2AMEN1NPC1
SCHEMBL4910330 0.90 KDM1A (0.42) EGFRERBB2KMT2AMEN1NPC1
SCHEMBL4908949 0.89 ABL1 (0.45) EGFRERBB2KMT2AMEN1NPC1
SCHEMBL4907647 0.89 KDM1A (0.53) EGFRERBB2KMT2AMEN1NPC1
SCHEMBL4904603 0.88 KDM1A (0.42) EGFRERBB2KMT2AMEN1NPC1
SCHEMBL4904734 0.88 EGFR (0.45) EGFRERBB2KMT2AMEN1NPC1
SCHEMBL4910969 0.88 TOP2A (0.43) EGFRERBB2KMT2AMEN1NPC1
SCHEMBL4909587 0.87 KDM1A (0.42) EGFRERBB2KMT2AMEN1NPC1
SCHEMBL4912623 0.87 KDM1A (0.39) NPC1KDRKDM1ARAB9AALDH1A1
SCHEMBL15097291 0.86 RAD52 (0.44) EGFRERBB2KDRKDM1AALDH1A1

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 544/4885KMT2A 876/4885

“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.