SCHEMBL29972743

SCHEMBL29972743

NC(=S)Nc1cccnc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
TP53 P04637 1/20 0.57
TYR P14679 1/20 0.57
TSHR P16473 1/20 0.57
TAS2R38 P59533 1/20 0.57
HSD17B10 Q99714 1/20 0.57
ATG4B Q9Y4P1 1/20 0.56
MAPT P10636 1/20 0.56
PKM P14618 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.53
HIF1A Q16665 1/20 0.53
KMT2A Q03164 1/20 0.53
NAMPT P43490 1/20 0.51
HPGD P15428 1/20 0.51

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
SCHEMBL525722 1.00 ALDH1A1 (0.57) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL30394839 0.89 MAPT (0.58) ALDH1A1MAPTPKMKDM4EKMT2A
Niacinamide SCHEMBL29118200 0.87 F7 (0.67) ALDH1A1PKMNPC1RAB9ALMNA
SCHEMBL9383012 0.85 PKM (0.56) ALDH1A1ATG4BMAPTPKMNPC1
SCHEMBL805874 0.84 LMNA (0.57) ALDH1A1TAS2R38ATG4BMAPTPKM
SCHEMBL15510403 0.83 MAPT (0.74) ALDH1A1MAPTPKMKDM4ELMNA
Methane SCHEMBL11836732 0.83 PKM (0.54) ALDH1A1ATG4BMAPTPKMNPC1
SCHEMBL23220314 0.81 MAPT (0.61) ALDH1A1MAPTPKMKDM4EKMT2A
SCHEMBL162008 0.80 RAB9A (0.65) ALDH1A1TP53HSD17B10MAPTPKM
SCHEMBL14392134 0.80 RAB9A (0.55) ALDH1A1TP53MAPTPKMNPC1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118619952-A Aloperine derivative, preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2024-09-10 CN disclosed
US-11897865-B2 ABHD12 inhibitors and methods of making and using same THE SCRIPPS RESEARCH INSTITUTE (US) 2024-02-13 US disclosed
CN-112105355-B ABHD12 inhibitors and methods of making and using the same 斯克利普斯研究所 2024-01-02 CN disclosed
CN-115109048-B (hetero) aryl amide compound 中国药科大学 2023-12-08 CN disclosed
CN-113474383-B Free radical polymerizable composition 波林复合材料美国股份有限公司 2023-10-31 CN disclosed
EP-4081296-A1 DIHYDROCYCLOPENTA-ISOQUINOLINE-SULFONAMIDE DERIVATIVES COMPOUNDS UCB Biopharma SRL (BE) 2022-11-02 EP disclosed
CN-114980975-A Dihydrocyclopentaisoquinoline sulfonamide derivatives UCB生物制药有限责任公司 2022-08-30 CN disclosed
CN-114845778-A Dihydrocyclopentaisoquinoline sulfonamide derivative compound UCB生物制药有限责任公司 2022-08-02 CN 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 (1 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-11897865-B2 ABHD12 inhibitors and methods of making and using same ABHD12, SAMHD1, ABHD11 ALDH1A1 2729/4885TP53 228/4885TYR 4676/4885

“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.