SCHEMBL538459

SCHEMBL538459

Nc1nnc(-c2ccccc2)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 3/20 0.45
CYP1A2 P05177 1/20 0.45
MASP2 O00187 1/20 0.45
MAPT P10636 3/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
FGFR1 P11362 1/20 0.43
FGFR2 P21802 1/20 0.43
NPY5R Q15761 1/20 0.42
SCN2A Q99250 1/20 0.42
BTK Q06187 1/20 0.42
GAA P10253 2/20 0.42
GLA P06280 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
Trifluoromethylbenzene SCHEMBL28102258 0.86 SCN2A (0.49) NPC1RAB9APOLBL3MBTL1ALDH1A1
SCHEMBL384952 0.83 NPC1 (0.61) NPC1RAB9APOLBL3MBTL1ALDH1A1
SCHEMBL24317555 0.80 NPC1 (0.59) NPC1RAB9APOLBL3MBTL1ALDH1A1
SCHEMBL13258488 0.80 LMNA (0.42) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL20812634 0.79 NPC1 (0.51) NPC1RAB9APOLBALDH1A1MEN1
SCHEMBL5219548 0.78 DGAT1 (0.41) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL19569164 0.78 NISCH (0.42) RAB9APOLBL3MBTL1ALDH1A1MEN1
SCHEMBL17948203 0.78 NPC1 (0.57) NPC1RAB9APOLBL3MBTL1ALDH1A1
SCHEMBL30808614 0.78 ALDH1A1 (0.50) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL15452781 0.78 ALDH1A1 (0.50) NPC1RAB9AALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074084-B1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2013-08-28 EP claimed
EP-2074084-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-01 EP claimed
US-20080081822-A1 N-(5-tert-Butyl-isoxazol-3-yl)-2-cyclohexanesulfonyl-2-methyl-propionamide; cannabinoid receptor agonist, antagonist; analgesic, antiinflammatory and antitumor agent; neuropatic pain BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 US claimed
WO-2008039645-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 WO claimed
US-20250367209-A1 IDENTIFICATION OF NOVEL BENZOTHIAZONES AS TAU-SH3 INTERACTION INHIBITORS FOR THE TREATMENT OF ALZHEIMER’S DISEASE SOUTHERN RES INST (US) 2025-12-04 US disclosed
US-20250353851-A1 PURINES AND METHODS OF THEIR USE KINETA INC (US) 2025-11-20 US disclosed
WO-2025085233-A1 NOVEL DERIVATIVES OF QUINOLINONES, AND COMPOSITIONS AND METHODS THEREOF ENSEM THERAPEUTICS, INC. (US) 2025-04-24 WO disclosed
CN-115466229-B Para-amidobenzenesulfonyl compound and application thereof 上海中医药大学 2025-01-24 CN disclosed
CN-119031913-A Purine and methods of use thereof 奇尼塔公司 2024-11-26 CN disclosed
EP-4444312-A2 PURINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2024-10-16 EP disclosed
US-20240276957-A1 METHODS OF TREATMENT WITH AMINOLEVULINIC ACID SYNTHASE 2 (ALAS2) MODULATORS AGIOS PHARMACEUTICALS, INC. 2024-08-22 US disclosed
WO-2023250002-A1 IDENTIFICATION OF NOVEL BENZOTHIAZONES AS TAU-SH3 INTERACTION INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE SOUTHERN RESEARCH INSTITUTE (US) 2023-12-28 WO disclosed
EP-2054056-A2 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE The J. David Gladstone Institutes, A Testamentary Trust Established under The Will of J. David Gladstone (US) 2009-05-06 EP disclosed
US-20080081822-A1 N-(5-tert-Butyl-isoxazol-3-yl)-2-cyclohexanesulfonyl-2-methyl-propionamide; cannabinoid receptor agonist, antagonist; analgesic, antiinflammatory and antitumor agent; neuropatic pain BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 US disclosed
US-20080070937-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE J. DAVID GLADSTONE INSTITUTES 2008-03-20 US disclosed
US-20080070937-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE J. DAVID GLADSTONE INSTITUTES 2008-03-20 US disclosed
US-20080070937-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE J. DAVID GLADSTONE INSTITUTES 2008-03-20 US disclosed
WO-2008022286-A2 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2008-02-21 WO disclosed
WO-2008022286-A2 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2008-02-21 WO disclosed
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US 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 (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-20080081822-A1 N-(5-tert-Butyl-isoxazol-3-yl)-2-cyclohexanesulfonyl-2-methyl-propionamide; cannabinoid receptor agonist, antagonist; analgesic, antiinflammatory and antitumor agent; neuropatic pain CNR2, CNR1, OPRL1 NPC1 2051/4885RAB9A 3649/4885POLB 4192/4885
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 NPC1 3/4885RAB9A 3451/4885POLB 380/4885
US-20080070937-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE KMO, KYNU, TDO2 NPC1 3651/4885RAB9A 4505/4885POLB 2514/4885
US-20250367209-A1 IDENTIFICATION OF NOVEL BENZOTHIAZONES AS TAU-SH3 INTERACTION INHIBITORS FOR THE TREATMENT OF ALZHEIMER’S DISEASE MAPT, SORBS1, TARDBP NPC1 3487/4885RAB9A 2694/4885POLB 3829/4885
US-20250353851-A1 PURINES AND METHODS OF THEIR USE TDP1, TDP2, PIKFYVE NPC1 1300/4885RAB9A 1158/4885POLB 287/4885

“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.