SCHEMBL353892

SCHEMBL353892

Cc1nc2cccc(C)c2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.56
TNKS2 Q9H2K2 1/20 0.46
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
AHR P35869 1/20 0.41
KIF11 P52732 1/20 0.39
AR P10275 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
DAO P14920 1/20 0.38
DDO Q99489 1/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL31033488 1.00 PARP1 (0.56) PARP1TNKS2NPC1RAB9ASMN1; SMN2
Bromide SCHEMBL5318093 0.98 PARP1 (0.55) PARP1TNKS2NPC1RAB9ASMN1; SMN2
Phosphoric Acid SCHEMBL30514699 0.89 PARP1 (0.51) PARP1TNKS2NPC1RAB9ASMN1; SMN2
Succinic Acid SCHEMBL28523841 0.85 PARP1 (0.47) PARP1TNKS2RAB9ASMN1; SMN2ALDH1A1
Isoxazole SCHEMBL28611399 0.83 PARP1 (0.43) PARP1TNKS2NPC1RAB9ASMN1; SMN2
Hydrochlorthiazide SCHEMBL11538086 0.82 PARP1 (0.42) PARP1TNKS2NPC1RAB9ASMN1; SMN2
SCHEMBL6368182 0.81 PARP1 (0.47) PARP1TNKS2NPC1RAB9ASMN1; SMN2
SCHEMBL5142221 0.79 PARP1 (0.59) PARP1TNKS2NPC1RAB9ASMN1; SMN2
SCHEMBL1013611 0.79 PARP1 (0.46) PARP1TNKS2NPC1RAB9ASMN1; SMN2
SCHEMBL9502126 0.79 PARP1 (0.44) PARP1TNKS2NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12344630-B2 Novel, heavy vitamin B12 derivatives CHARLES STURT UNIVERSITY (AU) 2025-07-01 US claimed
CN-119656868-A Flexible MOF microfiltration membrane and preparation method and application thereof 北京大学 2025-03-21 CN claimed
CN-119563048-A Passivation coating on copper metal surfaces for copper wire bonding applications 北德克萨斯大学 2025-03-04 CN claimed
CN-119522108-A RNA adjuvants, methods and uses thereof 弗莱格生物公司 2025-02-25 CN claimed
US-20240368659-A1 MICROBIAL CELL FACTORIES PRODUCING VITAMIN B COMPOUNDS BIOSYNTIA APS (DK) 2024-11-07 US claimed
CN-118079660-A Preparation method and application of zeolite-imidazole ester framework material film 中国科学院大连化学物理研究所 2024-05-28 CN claimed
EP-4370653-A2 MICROBIAL CELL FACTORIES PRODUCING VITAMIN B COMPOUNDS Biosyntia ApS (DK) 2024-05-22 EP claimed
US-20240101591-A1 NOVEL, HEAVY VITAMIN B12 DERIVATIVES CHARLES STURT UNIVERSITY (AU) 2024-03-28 US claimed
EP-4331561-A1 USE OF ORAL CARE COMPOSITION Unilever IP Holdings B.V. (NL) 2024-03-06 EP claimed
CN-117524740-A 3D printing zinc vanadate/carbon nano composite electrode and preparation method and application thereof 中国科学院福建物质结构研究所 2024-02-06 CN claimed
EP-0906430-B1 BIOSYNTHESIS METHOD ENABLING THE PREPARATION OF O-PHOSPHO-L-THREONINE AVENTIS PHARMA SA (FR) 2006-07-26 EP claimed
US-20060110322-A1 Assay for vitamin B12 absorption and method of making labeled vitamin B12 REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-05-25 US claimed
US-6329536-B1 REACTING UNSATURATED NITROOLEFIN COMPOUND WITH BETA-DICARBONYL COMPOUND IN THE PRESENCE OF A CATALYST COMPLEX AND A BASE, CATALYST COMPLEX COMPRISING A LIGAND AND A METAL COMPLEX ABBOTT LABORATORIES 2001-12-11 US claimed
EP-1114022-A1 PROCESS FOR PRODUCING STEREOSELECTIVE NITRO COMPOUNDS ABBOTT LABORATORIES (US) 2001-07-11 EP claimed
WO-2000015599-A1 PROCESS FOR PRODUCING STEREOSELECTIVE NITRO COMPOUNDS ABBOTT LABORATORIES (US) 2000-03-23 WO claimed
US-5968708-A METAL PHTHALOCYANINE WITH MANGANESE, IRON, COBALT, ZINC OR CADMIUM METAL WITH ETHER OR SULFIDE SUBSTITUENTS RICOH COMPANY, LTD. (JP) 1999-10-19 US claimed
EP-0906430-A1 BIOSYNTHESIS METHOD ENABLING THE PREPARATION OF COBALAMINS Aventis Pharma S.A. (FR) 1999-04-07 EP claimed
WO-1997043421-A1 BIOSYNTHESIS METHOD ENABLING THE PREPARATION OF COBALAMINS RHONE-POULENC RORER S.A. (FR) 1997-11-20 WO claimed
CN-1054799-A The relevant polypeptide of biosynthesizing cobalami and/or cobamide, dna sequence dna, its preparation method and the application of these polypeptide of encoding RHONE POULENC BIOCHIMIE (FR) 1991-09-25 CN claimed
EP-0428260-A2 Metal surface treatment agents SANWA LABORATORY LTD. (JP) 1991-05-22 EP 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 (2 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-12344630-B2 Novel, heavy vitamin B12 derivatives HMBS, SLC19A1, SLC19A2 PARP1 4434/4885TNKS2 3233/4885NPC1 1017/4885
US-20240101591-A1 NOVEL, HEAVY VITAMIN B12 DERIVATIVES HMBS, SLC19A1, SLC19A2 PARP1 4434/4885TNKS2 3233/4885NPC1 1017/4885

“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.