SCHEMBL4912430

SCHEMBL4912430

COc1cccc(Nc2cccc3nc4ccccc4cc23)c1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.51
TLR8 Q9NR97 1/20 0.49
KMT2A Q03164 5/20 0.48
RAB9A P51151 4/20 0.48
KDM4E B2RXH2 3/20 0.48
NPC1 O15118 3/20 0.48
GAA P10253 3/20 0.48
LMNA P02545 3/20 0.48
ALDH1A1 P00352 2/20 0.48
GLA P06280 1/20 0.48
HPGD P15428 1/20 0.48
PTBP1 P26599 1/20 0.48
RCE1 Q9Y256 1/20 0.48
PTPN11 Q06124 1/20 0.46
EGFR P00533 1/20 0.46
MAPT P10636 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NQO2 P16083 2/20 0.43
THRB P10828 1/20 0.43
MAPK1 P28482 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
SCHEMBL4911184 0.85 KMT2A (0.50) POLBTLR8KMT2ARAB9AKDM4E
SCHEMBL4912419 0.82 POLB (0.55) POLBTLR8KMT2ARAB9AKDM4E
SCHEMBL9415823 0.81 KDM4E (0.58) POLBKMT2ARAB9AKDM4ENPC1
SCHEMBL4911204 0.80 KMT2A (0.50) POLBKMT2ARAB9AKDM4ENPC1
SCHEMBL240664 0.78 NQO2 (0.57) POLBTLR8KMT2ARAB9AKDM4E
Hydrochloric Acid SCHEMBL15271481 0.77 NQO2 (0.56) POLBTLR8KMT2ARAB9AKDM4E
SCHEMBL27517531 0.76 SLC2A1 (0.59) POLBKMT2ARAB9AKDM4ENPC1
Hydrochloric Acid SCHEMBL32690198 0.75 NQO2 (0.54) POLBTLR8KMT2ARAB9AKDM4E
SCHEMBL7636314 0.74 CYP1A2 (0.72) POLBKMT2ARAB9AKDM4ELMNA
SCHEMBL4939236 0.74 ALDH1A1 (0.61) POLBKMT2ARAB9AKDM4ENPC1

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 POLB 150/4885TLR8 855/4885KMT2A 876/4885

“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.