SCHEMBL4912416

SCHEMBL4912416

COc1cccc(-c2cc(-c3cc(NC(=O)NN)ccc3N(CCCl)CCCl)c3cc(OC)ccc3n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.49
MAPT P10636 9/20 0.49
KDM4E B2RXH2 8/20 0.49
HPGD P15428 8/20 0.49
KMT2A Q03164 7/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
MEN1 O00255 5/20 0.49
LMNA P02545 4/20 0.46
HTT P42858 2/20 0.46
THRB P10828 1/20 0.45
GAA P10253 2/20 0.44
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
PLA2G2A P14555 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
CNR1 P21554 1/20 0.39
ADORA3 P0DMS8 2/20 0.39

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
SCHEMBL4911039 0.94 MAPT (0.43) ALDH1A1MAPTKDM4EHPGDKMT2A
SCHEMBL4902959 0.94 MAPT (0.45) ALDH1A1MAPTKDM4EHPGDKMT2A
SCHEMBL4911300 0.94 KMT2A (0.47) ALDH1A1MAPTKDM4EHPGDKMT2A
SCHEMBL4912691 0.93 PLA2G2A (0.46) ALDH1A1MAPTKDM4EHPGDKMT2A
SCHEMBL4909242 0.90 PLA2G2A (0.42) ALDH1A1MAPTKDM4EHPGDKMT2A
SCHEMBL4913202 0.89 CA2 (0.44) ALDH1A1MAPTKDM4EHPGDKMT2A
SCHEMBL4913292 0.89 ATM (0.40) ALDH1A1MAPTKDM4EHPGDKMT2A
SCHEMBL4909819 0.88 CA9 (0.49) ALDH1A1MAPTKDM4EHPGDKMT2A
SCHEMBL4914093 0.87 MEN1 (0.48) ALDH1A1MAPTKDM4EHPGDKMT2A
SCHEMBL4909318 0.86 PLA2G2A (0.49) ALDH1A1MAPTKDM4EHPGDKMT2A

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 ALDH1A1 1144/4885MAPT 3066/4885KDM4E 873/4885

“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.