SCHEMBL4904599

SCHEMBL4904599

Cc1cc(N(NC(=O)O)c2ccc(N(CCCl)CCCl)cc2)c2cc(Cl)ccc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
OPRL1 P41146 1/20 0.37
CYP2D6 P10635 2/20 0.36
CYP1A2 P05177 1/20 0.36
KCNH2 Q12809 1/20 0.36
EGFR P00533 4/20 0.36
ERBB2 P04626 4/20 0.36
LMNA P02545 2/20 0.35
TERT O14746 1/20 0.35
EHMT2 Q96KQ7 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
MAPT P10636 2/20 0.35

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
SCHEMBL4901504 0.93 POLB (0.40) KMT2AOPRL1EGFRERBB2LMNA
SCHEMBL4909541 0.88 ATM (0.41) KMT2ACYP2D6CYP1A2EGFRERBB2
SCHEMBL4906410 0.87 L3MBTL1 (0.42) KMT2AEGFRERBB2MAPTMEN1
SCHEMBL4940288 0.83 HDAC3 (0.36) KMT2ACYP2D6CYP1A2EGFRERBB2
SCHEMBL4912180 0.75 IGF1R (0.41) KMT2AOPRL1KCNH2EGFRERBB2
SCHEMBL4912175 0.75 IGF1R (0.48) KMT2ACYP2D6CYP1A2LMNAEHMT2
SCHEMBL4907632 0.74 CYP3A4 (0.46) KMT2AEGFRERBB2LMNAMEN1
SCHEMBL4906398 0.69 OPRK1 (0.47) KMT2AEGFRERBB2MAPTMEN1
SCHEMBL4912687 0.68 GNG2 (0.43) KMT2AOPRL1EHMT2MEN1
SCHEMBL15097277 0.67 MAPT (0.53) KMT2ACYP2D6CYP1A2MAPTMEN1

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 KMT2A 876/4885OPRL1 3109/4885CYP2D6 1961/4885

“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.