SCHEMBL4910940

SCHEMBL4910940

COc1ccc(-c2cc(Oc3ccc(NC(=O)Nc4ccc(N(CCCl)CCCl)cc4)cc3)c3cc(OC)ccc3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 3/20 0.48
PDGFRA P16234 2/20 0.46
KDR P35968 2/20 0.46
KDM4E B2RXH2 8/20 0.46
ALDH1A1 P00352 6/20 0.45
MAPT P10636 6/20 0.45
HPGD P15428 6/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
LMNA P02545 2/20 0.45
CSF1R P07333 2/20 0.45
GAA P10253 1/20 0.45
AURKB Q96GD4 1/20 0.45
KCNH2 Q12809 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
CYP3A4 P08684 1/20 0.44
HTT P42858 2/20 0.44
THRB P10828 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43

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 0.89 PLA2G2A (0.49) PLA2G2AKDM4EMAPTSMN1; SMN2KMT2A
SCHEMBL4914900 0.88 KCNH2 (0.56) PDGFRAKDRKDM4EALDH1A1MAPT
SCHEMBL4940664 0.85 BRAF (0.47) PDGFRAKDRCSF1RKMT2AMEN1
SCHEMBL4909713 0.84 ACP1 (0.47) PLA2G2AKDM4EMAPTSMN1; SMN2CYP3A4
SCHEMBL4911285 0.84 PLA2G2A (0.52) PLA2G2AKDM4EMAPTSMN1; SMN2LMNA
SCHEMBL4906243 0.84 TACR3 (0.50) PLA2G2AMAPTSMN1; SMN2CSF1RAURKB
SCHEMBL4905104 0.83 IGF1R (0.60) KMT2AMEN1CYP3A4
SCHEMBL4909943 0.82 CA12 (0.47) PLA2G2AKDM4EALDH1A1MAPTHPGD
SCHEMBL4911678 0.82 MAPT (0.45) PDGFRAKDM4EALDH1A1MAPTHPGD
SCHEMBL4910173 0.81 KDM4E (0.50) PLA2G2AKDM4EALDH1A1MAPTHPGD

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 PLA2G2A 4523/4885PDGFRA 2903/4885KDR 1922/4885

“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.