SCHEMBL970408

SCHEMBL970408

CN(C)C(=O)c1ncc[nH]1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.35
GLA P06280 1/20 0.35
BRAF P15056 1/20 0.35
HDAC1 Q13547 1/20 0.35
HSPA5 P11021 1/20 0.35
HTT P42858 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
TBXAS1 P24557 1/20 0.33
MAP4K1 Q92918 1/20 0.32

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
SCHEMBL22372221 0.81 NPC1 (0.44) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL2426685 0.79 NPC1 (0.45) NPC1RAB9AKMT2AALDH1A1TAAR1
SCHEMBL22372217 0.78 NPC1 (0.41) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL1887631 0.77 NPC1 (0.41) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL5161632 0.76 NPC1 (0.42) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL22372037 0.76 NPC1 (0.40) NPC1RAB9AKMT2ASMN1; SMN2KDM4E
SCHEMBL11803527 0.76 POLB (0.48) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL7048212 0.76 RAB9A (0.58) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL10941407 0.76
SCHEMBL98748 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250326769-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS NUVALENT INC (US) 2025-10-23 US disclosed
EP-4562002-A1 SUBSTITUTED BICYCLIC HETEROARYL SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF CANCER Nodus Oncology Limited (GB) 2025-06-04 EP disclosed
US-12264138-B2 Process for the preparation of microbiocidal oxadiazole derivatives SYNGENTA CROP PROTECTION AG (CH) 2025-04-01 US disclosed
WO-2024023330-A1 SUBSTITUTED BICYCLIC HETEROARYL SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF CANCER NODUS ONCOLOGY LIMITED (GB) 2024-02-01 WO disclosed
US-20220194907-A1 PROCESS FOR THE PREPARATION OF MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2022-06-23 US disclosed
CN-107001375-B 6, 7-dihydropyrazolo [1,5-a ] pyrazin-4 (5H) -one compounds and their use as negative allosteric modulators of MGLUR2 receptors 詹森药业有限公司 2020-06-09 CN disclosed
US-10472352-B2 Rac inhibitors Geneyus LLC (US) 2019-11-12 US disclosed
US-20190031647-A1 RAC INHIBITORS Geneyus LLC (US) 2019-01-31 US disclosed
WO-2017093545-A1 ANTI-BACTERIAL COMPOUNDS BASED ON AMINO-GOLD PHOSPHINE COMPLEXES AUSPHERIX LIMITED (GB) 2017-06-08 WO disclosed
US-20130289013-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS SUNOVION PHARMACEUTICALS INC. 2013-10-31 US disclosed
WO-2009143156-A2 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS SEPRACOR INC. (US) 2009-11-26 WO disclosed
US-20090156512-A1 potent activity against resistant pneumococci MEIJI SEIKA KAISHA, LTD. (JP) 2009-06-18 US disclosed
US-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US disclosed
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
EP-1803719-A1 1,5-DIHETEROCYCLE-1H-TRIAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-07-04 EP disclosed
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 EP disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 EP disclosed
EP-0541705-A4 SUBSTITUTED 1H-IMIDAZOL-5-YL)ALKANOIC ACIDS 1993-11-10 EP disclosed
EP-0541705-A1 SUBSTITUTED 1H-IMIDAZOL-5-YL]ALKANOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1993-05-19 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 (10 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-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative PTGS1, PTGER1, TBXA2R NPC1 3524/4885RAB9A 2660/4885KMT2A 3245/4885
US-20250326769-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS ROS1, MCL1, ALK NPC1 468/4885RAB9A 1675/4885KMT2A 1919/4885
US-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 NPC1 4323/4885RAB9A 2864/4885KMT2A 3446/4885
US-20130289013-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS PAICS, ITPA, DPYD NPC1 372/4885RAB9A 1870/4885KMT2A 3191/4885
US-20080064682-A1 Pyrazole Derivatives NAT1, AR, CBR3 NPC1 2133/4885RAB9A 2200/4885KMT2A 1719/4885
US-20190031647-A1 RAC INHIBITORS ARHGDIB, ARHGDIA, RAC1 NPC1 1118/4885RAB9A 44/4885KMT2A 2995/4885
US-12264138-B2 Process for the preparation of microbiocidal oxadiazole derivatives CYP51A1, MPO, NOX5 NPC1 2556/4885RAB9A 3264/4885KMT2A 4305/4885
US-20090156512-A1 potent activity against resistant pneumococci H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NAT1, NPM1 NPC1 50/4885RAB9A 377/4885KMT2A 2133/4885
US-10472352-B2 Rac inhibitors ARHGDIB, ARHGDIA, RAC1 NPC1 1118/4885RAB9A 44/4885KMT2A 2995/4885
US-20220194907-A1 PROCESS FOR THE PREPARATION OF MICROBIOCIDAL OXADIAZOLE DERIVATIVES CYP51A1, MPO, NOX5 NPC1 2556/4885RAB9A 3264/4885KMT2A 4305/4885

“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.