SCHEMBL30947362

SCHEMBL30947362

COc1ccc(CN(Cc2ccc(OC)cc2)c2nc3ccccc3c(NCc3ccc(CN4CCCC4)s3)c2[N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.52
ACP1 P24666 5/20 0.42
PTGDR Q13258 1/20 0.38
BCHE P06276 1/20 0.38
ALDH1A1 P00352 4/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL30947363 1.00 EGFR (0.52) EGFRACP1PTGDRBCHEALDH1A1
SCHEMBL30947348 0.87 ACP1 (0.45) EGFRACP1PTGDRBCHEALDH1A1
SCHEMBL30947355 0.85 EGFR (0.53) EGFRACP1BCHEALDH1A1MAPT
SCHEMBL29977925 0.84 EGFR (0.52) EGFRACP1BCHEALDH1A1MAPT
SCHEMBL30947336 0.81 EGFR (0.45) EGFRACP1BCHEALDH1A1MAPT
SCHEMBL24733020 0.79 ALDH1A1 (0.43) EGFRALDH1A1MAPTMEN1KMT2A
SCHEMBL29809264 0.79 ALDH1A1 (0.43) EGFRALDH1A1MAPTMEN1KMT2A
SCHEMBL3167025 0.77 EGFR (0.57) EGFRACP1ALDH1A1MAPTMEN1
SCHEMBL4199059 0.76 EGFR (0.54) EGFRBCHEMAPTKMT2AGAA
SCHEMBL4199068 0.76 EGFR (0.54) EGFRBCHEMAPTKMT2AGAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240150346-A1 CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF INNOVSTONE THERAPEUTICS LIMITED (CN) 2024-05-09 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-20240150346-A1 CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF TLR7, TLR1, TLR8 EGFR 2553/4885ACP1 3773/4885PTGDR 1572/4885

“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.