Indole

Indole

SCHEMBL4237628

NC(=O)c1ccccn1.NC(=O)c1ccccn1.c1ccc2[nH]ccc2c1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.53
WNT3A P56704 1/20 0.53
TRPA1 O75762 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
ITGB2 P05107 1/20 0.52
ICAM1 P05362 1/20 0.52
ITGAL P20701 1/20 0.52
CA4 P22748 1/20 0.52
CA6 P23280 1/20 0.52
AHR P35869 1/20 0.52
ADK P55263 1/20 0.52
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
P4HTM Q9NXG6 1/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CA P42336 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
Indole SCHEMBL3857973 1.00 CTNNB1 (0.53) CTNNB1WNT3ATRPA1CA1CA2
2-Picolinic Acid SCHEMBL10660099 0.86 LMNA (0.62) CTNNB1WNT3ATRPA1CA1CA2
2-Picolinic Acid SCHEMBL28209687 0.82 L3MBTL1 (0.57) CTNNB1WNT3ATRPA1CA1CA2
Naphthalene SCHEMBL28301626 0.82 CES2 (0.59) CES2CES1L3MBTL1LMNANAPRT
Naphthalene SCHEMBL28303087 0.80 CES2 (0.57) CES2CES1L3MBTL1LMNANAPRT
Indole SCHEMBL27631042 0.80 TRPA1 (0.74) CTNNB1WNT3ATRPA1CA1CA2
Indole SCHEMBL5205084 0.80 TRPA1 (0.74) CTNNB1WNT3ATRPA1CA1CA2
SCHEMBL1505348 0.80
SCHEMBL4914089 0.80 CES2 (0.67) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL61183 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2108649-B1 Novel indol carboxylic acid bispyridyl carboxamide derivatives as 5-HT2c receptor antagonists KOREA RES INST CHEM TECH (KR) 2013-04-24 EP disclosed
US-8324246-B2 Indol carboxylic acid bispyridyl carboxamide derivatives, pharmaceutically acceptable salt thereof, preparation method and composition containing the same as an active ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-12-04 US disclosed
US-20090258876-A1 NOVEL INDOL CARBOXYLIC ACID BISPYRIDYL CARBOXAMIDE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD AND COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2009-10-15 US disclosed
WO-2009125923-A2 NOVEL INDOL CARBOXYLIC ACID BISPYRIDYL CARBOXAMIDE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD AND COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA RESERACH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2009-10-15 WO disclosed
EP-2108649-A1 Novel indol carboxylic acid bispyridyl carboxamide derivatives as 5-HT2c receptor antagonists Korea Research Institute of Chemical Technology (KR) 2009-10-14 EP 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-20090258876-A1 NOVEL INDOL CARBOXYLIC ACID BISPYRIDYL CARBOXAMIDE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD AND COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT HTR2C, HTR5A, HTR2A CTNNB1 4228/4885WNT3A 1798/4885TRPA1 264/4885

“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.