SCHEMBL8554963

SCHEMBL8554963

CNc1nc(C)c(C(=O)O)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ TSHR P16473 2/20 0.55
▸ HPGD P15428 1/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ RAB9A P51151 3/20 0.54
▸ NPC1 O15118 2/20 0.53
▸ KDM4E B2RXH2 4/20 0.50
▸ JAK2 O60674 3/20 0.50
▸ EGFR P00533 3/20 0.50
▸ GAA P10253 2/20 0.50
▸ PKM P14618 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ POLB P06746 1/20 0.47
▸ GFER P55789 1/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ CCNA2 P20248 1/20 0.45
▸ CDK2 P24941 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45

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
SCHEMBL4395319 0.86 ALDH1A1 (0.66) ALDH1A1L3MBTL1TSHRHPGDSMN1; SMN2
SCHEMBL1592594 0.84 RXFP1 (0.62) ALDH1A1L3MBTL1TSHRHPGDSMN1; SMN2
SCHEMBL22750815 0.82 ALDH1A1 (0.53) ALDH1A1TSHRHPGDSMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL14053819 0.82 RXFP1 (0.60) ALDH1A1L3MBTL1TSHRHPGDSMN1; SMN2
SCHEMBL12852574 0.82 ALDH1A1 (0.54) ALDH1A1L3MBTL1TSHRHPGDSMN1; SMN2
SCHEMBL25696684 0.82 ALDH1A1 (0.54) ALDH1A1L3MBTL1TSHRHPGDSMN1; SMN2
SCHEMBL7143553 0.82 LCK (0.59) ALDH1A1L3MBTL1TSHRHPGDSMN1; SMN2
SCHEMBL3585209 0.81 ALDH1A1 (0.64) ALDH1A1L3MBTL1TSHRHPGDSMN1; SMN2
SCHEMBL8556409 0.79 NPC1 (0.60) ALDH1A1L3MBTL1TSHRHPGDSMN1; SMN2
SCHEMBL8554826 0.79 ALDH1A1 (0.50) ALDH1A1TSHRHPGDSMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7089946-A — — None — — JP disclosed
US-20250084074-A1 SUBSTITUTED HETEROCYCLES AS HSET INHIBITORS MERCK PATENT GMBH (DE) 2025-03-13 — — US disclosed
CN-119421877-A Substituted heterocyclic compounds as HSET inhibitors 默克专利股份公司 2025-02-11 — — CN disclosed
EP-4463444-A1 SUBSTITUTED HETEROCYCLES AS HSET INHIBITORS Merck Patent GmbH (DE) 2024-11-20 — — EP disclosed
WO-2023131690-A1 SUBSTITUTED HETEROCYCLES AS HSET INHIBITORS MERCK PATENT GMBH (DE) 2023-07-13 — — WO disclosed
WO-2012016362-A1 Β-SECRETASE INHIBITORS FOR TREATING ALZHEIMER'S DISEASE AND USES THEREOF 中国人民解放军军事医学科学院毒物药物研究所 (CN) 2012-02-09 — — WO disclosed
US-20110294758-A1 NOVEL ACTIVATORS OF GLUCOKINASE METABASIS THERAPEUTICS, INC. (US) 2011-12-01 — — US disclosed
EP-0639574-B1 2-aminothiazolecarboxamide derivatives, processes for their preparation and their use for controlling phytopathogenic organisms LUCKY LTD (KR) 1998-06-10 — — EP disclosed
US-5514643-A FUNGICIDES FOR PLANTS LUCKY LTD. (KR) 1996-05-07 — — US disclosed
JP-H0789946-A NOVEL 2-AMINOTHIAZOLECARBOXAMIDE DERIVATIVE, ITS PRODUCTION AND ANTIBACTERIAL AGENT FOR PHYTOPATHOGENIC ORGANISMS LUCKY CO LTD 1995-04-04 — — JP disclosed
EP-0639574-A1 2-aminothiazolecarboxamide derivatives, processes for their preparation and their use for controlling phytopathogenic organisms LUCKY LTD. (KR) 1995-02-22 — — 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 (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-20250084074-A1 SUBSTITUTED HETEROCYCLES AS HSET INHIBITORS VHL, CDKN1A, CCNI ALDH1A1 1680/4885L3MBTL1 2054/4885TSHR 3700/4885
US-20110294758-A1 NOVEL ACTIVATORS OF GLUCOKINASE GCKR, GCK, HK1 ALDH1A1 2389/4885L3MBTL1 3980/4885TSHR 3913/4885

“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.

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