SCHEMBL353891

SCHEMBL353891

Cc1nc2c(C)cccc2[nH]1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.56
MGAM O43451 15/20 0.56
GAA P10253 15/20 0.56
SI P14410 15/20 0.56
MGAM2 Q2M2H8 15/20 0.56
ESR1 P03372 1/20 0.53
CBFB Q13951 1/20 0.53

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
Bromide SCHEMBL5318091 0.98 PARP1 (0.55) PARP1MGAMGAASIMGAM2
SCHEMBL20936149 0.83 PARP1 (0.56) PARP1MGAMGAASIMGAM2
SCHEMBL1170892 0.83 MGAM (0.71) MGAMGAASIMGAM2ESR1
SCHEMBL4692683 0.79 MGAM (0.53) MGAMGAASIMGAM2ESR1
SCHEMBL727228 0.79 MGAM (0.53) MGAMGAASIMGAM2ESR1
SCHEMBL3109602 0.79 MGAM (0.60) MGAMGAASIMGAM2ESR1
SCHEMBL6139625 0.79 MGAM (0.60) MGAMGAASIMGAM2ESR1
SCHEMBL3424862 0.79 MGAM (0.60) MGAMGAASIMGAM2ESR1
SCHEMBL17801881 0.79 MGAM (0.53) MGAMGAASIMGAM2ESR1
SCHEMBL110724 0.79 MGAM (0.53) MGAMGAASIMGAM2ESR1

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 457 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
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
US-11884695-B2 Heavy vitamin B12 derivatives CHARLES STURT UNIVERSITY (AU) 2024-01-30 US claimed
CN-116364907-B Lithium-rich manganese-based layered cathode material, and preparation method and application thereof 天津巴莫科技有限责任公司 2023-08-29 CN claimed
CN-116364907-A Lithium-rich manganese-based layered cathode material, and preparation method and application thereof 天津巴莫科技有限责任公司 2023-06-30 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 (3 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 4434/4885MGAM 3372/4885GAA 3098/4885
US-20240101591-A1 NOVEL, HEAVY VITAMIN B12 DERIVATIVES HMBS, SLC19A1, SLC19A2 PARP1 4434/4885MGAM 3372/4885GAA 3098/4885
US-11884695-B2 Heavy vitamin B12 derivatives HMBS, SLC19A1, SLC19A2 PARP1 4226/4885MGAM 2691/4885GAA 2909/4885

“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.