SCHEMBL264036

SCHEMBL264036

Nc1ccc(-c2nnn[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.42
RAB9A P51151 8/20 0.42
ALDH1A1 P00352 7/20 0.42
TP53 P04637 4/20 0.42
CYP3A4 P08684 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 8/20 0.39
MEN1 O00255 8/20 0.39
KMT2A Q03164 8/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
KDM4E B2RXH2 6/20 0.39
HSD17B10 Q99714 6/20 0.39
HPGD P15428 5/20 0.39
GFER P55789 4/20 0.39
GLA P06280 3/20 0.39
GAA P10253 3/20 0.39
POLB P06746 2/20 0.39
RECQL P46063 2/20 0.39
RXFP1 Q9HBX9 2/20 0.39

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 SCHEMBL957838 0.98 NPC1 (0.41) NPC1RAB9AALDH1A1TP53CYP3A4
SCHEMBL2028396 0.89 ADH5 (0.32)
SCHEMBL13411813 0.86 ADH5 (0.36)
SCHEMBL17254442 0.83 NPC1 (0.38) NPC1RAB9AALDH1A1TP53LMNA
SCHEMBL8035241 0.81 KDR (0.41) NPC1RAB9AALDH1A1TP53CYP3A4
SCHEMBL17254440 0.80 ESR1 (0.33)
SCHEMBL13545612 0.80 RAB9A (0.49) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL7808324 0.79 AKT2 (0.45) ALDH1A1TDP1KMT2ASMN1; SMN2KDM4E
SCHEMBL8731560 0.79 ALPL (0.61) NPC1RAB9AALDH1A1TP53LMNA
SCHEMBL595550 0.78 IDO1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025238576-A1 SYSTEM AND METHOD FOR STORING LIQUIDS HAVING LOW LATENT HEAT OF VAPORIZATION Nuovo Pignone Tecnologie – S.r.l. (IT) 2025-11-20 WO claimed
US-20250354659-A1 SYSTEM AND METHOD FOR STORING LIQUIDS HAVING LOW LATENT HEAT OF VAPORIZATION NUOVO PIGNONE TECNOLOGIE – S R L (IT) 2025-11-20 US claimed
CN-117943117-A Anti-aging agent and preparation method thereof, catalyst for preparing anti-aging agent and preparation method and application thereof 中国石油化工股份有限公司 2024-04-30 CN claimed
US-8354444-B2 Substituted pyrrolidine-2-carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US claimed
EP-1926711-B1 NOVEL HETEROBICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF LIVER CARNITINE PALMITOYL TRANSFERASE HOFFMANN LA ROCHE (CH) 2012-11-07 EP claimed
EP-2340021-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES 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-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US claimed
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides F. HOFFMANN-LA ROCHE AG (CH) 2010-06-17 US 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-0460083-B1 DERIVATIVES OF N-PHENYLBENZAMIDE WITH ANTI-ULCER AND ANTI-ALLERGY ACTIVITY AND A METHOD FOR THEIR PREPARATION ROTTA RESEARCH LAB (IT) 1994-06-08 EP claimed
EP-0460083-A1 DERIVATIVES OF N-PHENYLBENZAMIDE WITH ANTI-ULCER AND ANTI-ALLERGY ACTIVITY AND A METHOD FOR THEIR PREPARATION. ROTTA RESEARCH LAB (IT) 1991-12-11 EP claimed
WO-1990009989-A1 DERIVATIVES OF N-PHENYLBENZAMIDE WITH ANTI-ULCER AND ANTI-ALLERGY ACTIVITY AND A METHOD FOR THEIR PREPARATION ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 1990-09-07 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 NPC1 148/4885RAB9A 3657/4885ALDH1A1 170/4885
US-20080103182-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 NPC1 95/4885RAB9A 3494/4885ALDH1A1 138/4885
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE HPGDS, PTGDR, PTGIS NPC1 2733/4885RAB9A 2884/4885ALDH1A1 614/4885
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides ARG2, CCNY, PYCR1 NPC1 3196/4885RAB9A 786/4885ALDH1A1 2027/4885
US-20070191603-A1 Novel bicyclic sulfonamide derivatives which are L-CPT1 inhibitors CPT1A, CPT1B, CPT2 NPC1 376/4885RAB9A 4486/4885ALDH1A1 324/4885

“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.