SCHEMBL4901504

SCHEMBL4901504

Cc1cc(N(NC(=O)O)c2ccc(N(CCCl)CCCl)cc2)c2ccc(Cl)cc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
NR4A2 P43354 1/20 0.39
KMT2A Q03164 3/20 0.39
KMO O15229 1/20 0.36
OPRL1 P41146 1/20 0.35
EGFR P00533 2/20 0.35
ERBB2 P04626 2/20 0.35
LMNA P02545 1/20 0.35
DYRK1A Q13627 1/20 0.35
HDAC3 O15379 1/20 0.35
PTGS1 P23219 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
ADORA1 P30542 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL4904599 0.93 KMT2A (0.39) KMT2AOPRL1EGFRERBB2LMNA
SCHEMBL4940288 0.89 HDAC3 (0.36) KMT2AEGFRERBB2LMNAHDAC3
SCHEMBL4906410 0.88 L3MBTL1 (0.42) KMT2AEGFRERBB2MEN1
SCHEMBL4909541 0.83 ATM (0.41) KMT2AEGFRERBB2LMNAHDAC3
SCHEMBL4912175 0.76 IGF1R (0.48) KMT2ALMNAMEN1HCRTR1
SCHEMBL4912180 0.76 IGF1R (0.41) POLBNR4A2KMT2AOPRL1EGFR
SCHEMBL4907632 0.76 CYP3A4 (0.46) KMT2AEGFRERBB2LMNAMEN1
SCHEMBL4906398 0.68 OPRK1 (0.47) KMT2AEGFRERBB2MEN1
SCHEMBL6600579 0.67 POLB (0.64) POLBNR4A2KMT2AADORA1
SCHEMBL4910059 0.67 GNG2 (0.40) POLBNR4A2KMT2AOPRL1EGFR

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 POLB 150/4885NR4A2 435/4885KMT2A 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.