SCHEMBL4909541

SCHEMBL4909541

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 2/20 0.40
GAA P10253 2/20 0.39
HDAC3 O15379 1/20 0.37
PTGS1 P23219 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 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
SCHEMBL4940288 0.93 HDAC3 (0.36) ATMKDM4EALDH1A1HSD17B10GAA
SCHEMBL4904599 0.88 KMT2A (0.39) ALDH1A1HDAC3PTGS1HDAC4HDAC1
SCHEMBL4906410 0.86 L3MBTL1 (0.42) ALDH1A1MEN1MAPTKMT2AMAPK1
SCHEMBL4901504 0.83 POLB (0.40) HDAC3PTGS1HDAC4HDAC1HDAC2
SCHEMBL4910169 0.78 HCRTR1 (0.55) KDM4EHSD17B10HCRTR1HCRTR2MEN1
SCHEMBL4936012 0.75 BRAF (0.51) KDM4EHSD17B10HCRTR1HCRTR2MEN1
SCHEMBL4907632 0.74 CYP3A4 (0.46) KDM4EMEN1KMT2ACYP3A4CYP2C9
SCHEMBL4938634 0.73 MAPT (0.53) KDM4EHSD17B10GAAHCRTR1HCRTR2
SCHEMBL4915549 0.68 GNG2 (0.42) ATMGAAMEN1MAPTKMT2A
SCHEMBL4906398 0.68 OPRK1 (0.47) KDM4EMEN1MAPTKMT2AMAPK1

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 ATM 3344/4885KDM4E 873/4885ALDH1A1 1144/4885

“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.