SCHEMBL750501

SCHEMBL750501

Nc1ccc(-c2noc(=O)[nH]2)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
RARB P10826 2/20 0.53
ADH5 P11766 1/20 0.51
PARP1 P09874 2/20 0.49
XDH P47989 2/20 0.46
SLC22A12 Q96S37 1/20 0.46
ALOX5 P09917 1/20 0.46
RARG P13631 1/20 0.45
PLA2G2A P14555 4/20 0.44
KMO O15229 1/20 0.43
TNKS O95271 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42

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
Hydrochloric Acid SCHEMBL12803102 0.98 ALDH1A1 (0.55) ALDH1A1RARBADH5PARP1XDH
Trifluoroacetic Acid SCHEMBL14334485 0.86 PARP1 (0.46) ALDH1A1RARBADH5PARP1XDH
SCHEMBL2646011 0.82 ALDH1A1 (0.58) ALDH1A1RARBADH5PARP1XDH
SCHEMBL16645310 0.81 ALDH1A1 (0.57) ALDH1A1RARBADH5PARP1XDH
SCHEMBL2963261 0.81 ALDH1A1 (0.61) ALDH1A1RARBADH5PARP1XDH
SCHEMBL18603158 0.81 ALDH1A1 (0.57) ALDH1A1RARBADH5PARP1XDH
SCHEMBL22273714 0.81 ALOX5 (0.63) ALDH1A1RARBADH5PARP1XDH
SCHEMBL15059787 0.81 ALDH1A1 (0.57) ALDH1A1RARBADH5PARP1XDH
SCHEMBL2646013 0.81 ALDH1A1 (0.57) ALDH1A1RARBADH5PARP1XDH
SCHEMBL4443620 0.81 ALDH1A1 (0.57) ALDH1A1RARBADH5PARP1XDH

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 161 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1926711-B1 NOVEL HETEROBICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF LIVER CARNITINE PALMITOYL TRANSFERASE HOFFMANN LA ROCHE (CH) 2012-11-07 EP claimed
EP-1996563-B1 HETEROBICYCLIC SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2012-03-21 EP claimed
US-8071628-B2 Indazole derivatives HOFFMANN-LA ROCHE INC. (US) 2011-12-06 US claimed
US-7880016-B2 substituted diaminobenzene is condensed with 2-[4-(1,2,4-oxadiazol-5-on-3-yl)-phenylamino]-acetic acid, the product thus ned is hydrogenated, optionally amidino group is carbonylated, without isolating the intermediate product of the hydrogenation beforehand, without isolation salt is formed BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-01 US claimed
US-20100130484-A1 NOVEL BICYCLIC SULFONAMIDE DERIVATIVES WHICH ARE L-CPT1 INHIBITORS ACKERMANN JEAN 2010-05-27 US claimed
US-7713996-B2 Indolyl derivatives which are L-CPT1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2010-05-11 US claimed
EP-2079703-A1 INDAZOLE DERIVATIVES USEFUL AS L-CPT1 INHIBITORS F. Hoffmann-Roche AG (CH) 2009-07-22 EP claimed
EP-1996563-A1 HETEROBICYCLIC SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2008-12-03 EP claimed
EP-1926711-A1 NOVEL HETEROBICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF LIVER CARNITINE PALMITOYL TRANSFERASE F.HOFFMANN-LA ROCHE AG (CH) 2008-06-04 EP claimed
WO-2008052898-A1 INDAZOLE DERIVATIVES USEFUL AS L-CPT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-08 WO claimed
US-20080103182-A1 INDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2008-05-01 US claimed
WO-2007093507-A1 HETEROBICYCLIC SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO claimed
US-20070191603-A1 Novel bicyclic sulfonamide derivatives which are L-CPT1 inhibitors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-16 US claimed
WO-2007031429-A1 NOVEL HETEROBICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF LIVER CARNITINE PALMITOYL TRANSFERASE F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 WO claimed
US-20070060567-A1 Novel indolyl derivatives which are L-CPT1 inhibitors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-03-15 US claimed
EP-4734980-A2 TMEM175 AGONISTS, COMPOSITIONS, AND METHODS OF USE Caraway Therapeutics, Inc. (US) 2026-05-06 EP disclosed
WO-2025006726-A2 TMEM175 AGONISTS, COMPOSITIONS, AND METHODS OF USE CARAWAY THERAPEUTICS, INC. (US) 2025-01-02 WO disclosed
US-5627197-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-05-06 US disclosed
EP-0741133-A2 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1996-11-06 EP disclosed
EP-0727425-A1 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1996-08-21 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 (4 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-20070060567-A1 Novel indolyl derivatives which are L-CPT1 inhibitors CPT1A, CPT1B, CPT2 ALDH1A1 170/4885RARB 3005/4885ADH5 186/4885
US-20080103182-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 ALDH1A1 138/4885RARB 3599/4885ADH5 81/4885
US-20100130484-A1 NOVEL BICYCLIC SULFONAMIDE DERIVATIVES WHICH ARE L-CPT1 INHIBITORS CPT1A, CPT1B, CPT2 ALDH1A1 324/4885RARB 3223/4885ADH5 438/4885
US-20070191603-A1 Novel bicyclic sulfonamide derivatives which are L-CPT1 inhibitors CPT1A, CPT1B, CPT2 ALDH1A1 324/4885RARB 3223/4885ADH5 438/4885

“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.