SCHEMBL4907492

SCHEMBL4907492

COc1cc(-c2cc(-c3cc(NC(=O)NN)ccc3N(CCCl)CCCl)c3ccccc3n2)cc(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
POLB P06746 4/20 0.49
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
ATM Q13315 1/20 0.47
KDM4E B2RXH2 8/20 0.46
ALDH1A1 P00352 6/20 0.46
HPGD P15428 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 2/20 0.44
RAB9A P51151 1/20 0.43
GAA P10253 1/20 0.42
UBE2I P63279 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41

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
SCHEMBL4910397 0.92 KDM4E (0.49) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL4913292 0.91 ATM (0.40) MAPTPOLBMEN1KMT2AATM
SCHEMBL4910370 0.89 TACR3 (0.45) MAPTPOLBMEN1KMT2AATM
SCHEMBL4914093 0.89 MEN1 (0.48) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL4909862 0.88 MAPT (0.42) MAPTMEN1KMT2AHTT
SCHEMBL4911300 0.87 KMT2A (0.47) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL4910685 0.87 MAPT (0.40) MAPTPOLBMEN1KMT2AHTT
SCHEMBL4908985 0.86 CA2 (0.49) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL4905121 0.86 CYP2D6 (0.44) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL4912443 0.86 CYP3A4 (0.46) MAPTPOLBMEN1KMT2AKDM4E

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 MAPT 3066/4885POLB 150/4885MEN1 4701/4885

“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.