SCHEMBL6168742

SCHEMBL6168742

O=C(Nc1ccccc1)c1cc2ccccc2[nH]c1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.66
RAB9A P51151 3/20 0.66
LMNA P02545 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
SMYD3 Q9H7B4 2/20 0.55
F12 P00748 1/20 0.54
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
EGFR P00533 7/20 0.53
PIK3CA P42336 7/20 0.53
CFTR P13569 1/20 0.50
DAO P14920 1/20 0.50
DDO Q99489 1/20 0.50
IDO1 P14902 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL30395353 1.00 NPC1 (0.66) NPC1RAB9ALMNASMN1; SMN2SMYD3
SCHEMBL21639712 0.90 MAOA (0.58) NPC1RAB9ALMNASMN1; SMN2SMYD3
SCHEMBL486475 0.90 MAOB (0.56) NPC1RAB9ALMNASMN1; SMN2SMYD3
SCHEMBL16627755 0.89 MAOA (0.57) NPC1RAB9ALMNASMN1; SMN2SMYD3
SCHEMBL16627875 0.89 ADORA3 (0.53) NPC1RAB9ALMNASMN1; SMN2SMYD3
SCHEMBL34468802 0.89 MEN1 (0.54) NPC1RAB9ALMNASMN1; SMN2SMYD3
SCHEMBL34468752 0.85 MAOB (0.60) NPC1RAB9ALMNASMN1; SMN2SMYD3
SCHEMBL16627766 0.85 NPC1 (0.49) NPC1RAB9ALMNASMN1; SMN2SMYD3
SCHEMBL16627822 0.84 MAPT (0.58) NPC1RAB9ALMNASMN1; SMN2SMYD3
SCHEMBL21639567 0.84 EGFR (0.54) NPC1RAB9ALMNASMN1; SMN2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159493-A1 AHR AGONISTS ELI LILLY AND COMPANY 2023-05-25 US disclosed
US-20230159493-A1 AHR AGONISTS ELI LILLY AND COMPANY 2023-05-25 US disclosed
US-20230159493-A1 AHR AGONISTS ELI LILLY AND COMPANY 2023-05-25 US disclosed
EP-3143399-A1 BIOMARKERS PREDICTIVE OF LUPUS PROGRESSION AND USES THEREOF Biogen MA Inc. (US) 2017-03-22 EP disclosed
WO-2015175424-A1 BIOMARKERS PREDICTIVE OF LUPUS PROGRESSION AND USES THEREOF BIOGEN MA INC. (US) 2015-11-19 WO disclosed
WO-2015050379-A1 NOVEL QUINOLINONE DERIVATIVE AND USE THEREOF 광주과학기술원 2015-04-09 WO disclosed
EP-1517896-A2 PHENYL- AND PYRIDYL-DIAZAHETEROCYCLES HAVING A TNF-MODULATING ACTIVITY Sanofi-Aventis (FR) 2005-03-30 EP disclosed
WO-2003106425-A2 PHENYL- AND PYRIDYL-DIAZAHETEROCYCLES HAVING A TNF-MODULATING ACTIVITY SANOFI-SYNTHELABO (FR) 2003-12-24 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-20230159493-A1 AHR AGONISTS AHR, ARNT, RORC NPC1 1273/4885RAB9A 3565/4885LMNA 4176/4885

“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.