SCHEMBL4904606

SCHEMBL4904606

COc1ccc2nc(-c3cccc(F)c3)cc(NC(=O)Nc3ccc(N(CCCl)CCCl)cc3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 6/20 0.44
HPGD P15428 6/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
IGF1R P08069 1/20 0.44
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
TACR3 P29371 2/20 0.42
ABL1 P00519 1/20 0.42
YES1 P07947 1/20 0.42
PIM1 P11309 1/20 0.42
MAPK1 P28482 1/20 0.42
HIPK1 Q86Z02 1/20 0.42

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
SCHEMBL4908277 0.93 MAPT (0.46) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4910173 0.93 KDM4E (0.50) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4909713 0.91 ACP1 (0.47) MAPTKDM4ESMN1; SMN2IGF1RCA12
SCHEMBL4911285 0.89 PLA2G2A (0.52) MAPTKDM4ESMN1; SMN2IGF1RLMNA
SCHEMBL4911441 0.89 PLA2G2A (0.49) MAPTKDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL15097276 0.88 MAPT (0.46) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4910112 0.87 ABCG2 (0.47) KMT2AMEN1IGF1RNPC1CYP3A4
SCHEMBL4907465 0.86 IGF1R (0.53) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4909943 0.85 CA12 (0.47) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4911678 0.85 MAPT (0.45) 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.