SCHEMBL4909943

SCHEMBL4909943

COc1ccc2nc(-c3ccc(O)c(OC)c3)cc(NC(=O)Nc3ccc(N(CCCl)CCCl)cc3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.47
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
CA9 Q16790 5/20 0.47
IGF1R P08069 1/20 0.42
KMT2A Q03164 5/20 0.41
MAPT P10636 5/20 0.41
MEN1 O00255 4/20 0.41
KDM4E B2RXH2 6/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
PLA2G2A P14555 1/20 0.40
HSD17B10 Q99714 2/20 0.40
GAA P10253 2/20 0.39
LMNA P02545 1/20 0.39
HSP90AA1 P07900 1/20 0.39
POLB P06746 1/20 0.39
ALOX15 P16050 1/20 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
SCHEMBL4911441 0.91 PLA2G2A (0.49) CA12CA1CA2CA9IGF1R
SCHEMBL4907501 0.90 MAPT (0.49) IGF1RKMT2AMAPTMEN1KDM4E
SCHEMBL4911678 0.90 MAPT (0.45) CA12CA1CA2CA9IGF1R
SCHEMBL4910173 0.88 KDM4E (0.50) CA12CA1CA2CA9IGF1R
SCHEMBL4909713 0.87 ACP1 (0.47) CA12CA1CA2CA9IGF1R
SCHEMBL4904606 0.85 MAPT (0.44) CA12CA1CA2CA9IGF1R
SCHEMBL4911659 0.85 CA9 (0.52) CA12CA1CA2CA9IGF1R
SCHEMBL4911285 0.84 PLA2G2A (0.52) IGF1RMAPTKDM4ESMN1; SMN2PLA2G2A
SCHEMBL4906243 0.84 TACR3 (0.50) IGF1RMAPTSMN1; SMN2PLA2G2APOLB
SCHEMBL4912698 0.83 KDM4E (0.54) IGF1RKMT2AMAPTMEN1KDM4E

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 CA12 612/4885CA1 1271/4885CA2 201/4885

“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.