SCHEMBL29977925

SCHEMBL29977925

COc1ccc(CN(Cc2ccc(OC)cc2)c2nc3ccccc3c(NCc3ccc(CN4CCCC4)c(Cl)c3)c2[N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.52
ACP1 P24666 8/20 0.46
PDE5A O76074 3/20 0.40
BCHE P06276 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MCHR1 Q99705 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
SCHEMBL30947355 0.92 EGFR (0.53) EGFRACP1BCHEALDH1A1MAPT
SCHEMBL29977635 0.87 ACP1 (0.49) EGFRACP1PDE5ABCHEMEN1
SCHEMBL24733058 0.87 ACP1 (0.49) EGFRACP1PDE5ABCHEMEN1
SCHEMBL30947362 0.84 EGFR (0.52) EGFRACP1BCHEALDH1A1MAPT
SCHEMBL30947363 0.84 EGFR (0.52) EGFRACP1BCHEALDH1A1MAPT
SCHEMBL24732827 0.83 EGFR (0.45) EGFRACP1PDE5AALDH1A1MAPT
SCHEMBL29809050 0.83 EGFR (0.45) EGFRACP1PDE5AALDH1A1MAPT
SCHEMBL30947336 0.81 EGFR (0.45) EGFRACP1BCHEALDH1A1MAPT
SCHEMBL24732635 0.79 ACP1 (0.47) EGFRACP1BCHEMEN1KMT2A
SCHEMBL30947350 0.79 ACP1 (0.47) EGFRACP1BCHEMEN1KMT2A

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-20240150346-A1 CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF INNOVSTONE THERAPEUTICS LIMITED (CN) 2024-05-09 US disclosed
WO-2022161420-A1 CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊石医药科技有限公司 2022-08-04 WO 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 3773/4885PDE5A 3965/4885

“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.