SCHEMBL4911039

SCHEMBL4911039

COc1ccc2nc(-c3cccc(F)c3)cc(-c3cc(NC(=O)NN)ccc3N(CCCl)CCCl)c2c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.43
KDM4E B2RXH2 8/20 0.43
ALDH1A1 P00352 8/20 0.43
HPGD P15428 8/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
LMNA P02545 4/20 0.40
HTT P42858 2/20 0.40
THRB P10828 1/20 0.40
CA9 Q16790 4/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
GAA P10253 2/20 0.39
PLA2G2A P14555 2/20 0.39
AURKB Q96GD4 1/20 0.37
CYP3A4 P08684 1/20 0.37
BRAF P15056 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
SCHEMBL4902959 0.94 MAPT (0.45) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4912416 0.94 ALDH1A1 (0.49) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4909242 0.92 PLA2G2A (0.42) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4909318 0.90 PLA2G2A (0.49) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4912691 0.90 PLA2G2A (0.46) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4910503 0.88 ABCG2 (0.40) MAPTKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL4911300 0.88 KMT2A (0.47) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4913202 0.86 CA2 (0.44) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4913292 0.86 ATM (0.40) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4909819 0.85 CA9 (0.49) MAPTKDM4EALDH1A1HPGDSMN1; SMN2

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 3066/4885KDM4E 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.