SCHEMBL4915705

SCHEMBL4915705

Cc1cc(NC(=O)Oc2ccc(N(CCCl)CCCl)cc2)cc(Nc2c3ccccc3nc3c(C)cccc23)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 8/20 0.48
PARP1 P09874 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
TOP2A P11388 3/20 0.41
TOP2B Q02880 3/20 0.41
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
THRB P10828 1/20 0.37
GFER P55789 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
MITF O75030 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
RAD52 P43351 1/20 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
SCHEMBL4902395 0.94 KDM1A (0.46) KDM1APARP1CYP3A4CYP2C9TOP2A
SCHEMBL10454646 0.93 TOP2A (0.46) KDM1ATOP2ATOP2BKDM4EMAPT
SCHEMBL4901467 0.93 TOP2A (0.49) KDM1APARP1CYP3A4CYP2C9TOP2A
SCHEMBL4912187 0.92 KDM1A (0.49) KDM1APARP1TOP2ATOP2BALDH1A1
SCHEMBL4938439 0.91 TOP2A (0.41) KDM1APARP1CYP3A4CYP2C9TOP2A
SCHEMBL4912596 0.89 KDM1A (0.54) KDM1APARP1CYP3A4CYP2C9TOP2A
SCHEMBL4906443 0.89 KDM1A (0.45) KDM1APARP1CYP3A4CYP2C9KDM4E
SCHEMBL4904325 0.89 KDM1A (0.46) KDM1APARP1CYP3A4CYP2C9KDM4E
SCHEMBL4906258 0.89 KDM1A (0.48) KDM1APARP1CYP3A4CYP2C9KDM4E
SCHEMBL4910536 0.88 RAD52 (0.45) KDM1ATOP2ATOP2BKDM4EMAPT

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 KDM1A 722/4885PARP1 778/4885CYP3A4 1084/4885

“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.