SCHEMBL4701786

SCHEMBL4701786

CC(C)(C)C1CCc2nc3sc(C(=O)O)cc3cc2C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 2/20 0.40
PKM P14618 2/20 0.40
GLA P06280 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TP53 P04637 3/20 0.38
POLB P06746 2/20 0.37
RORC P51449 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
DAO P14920 1/20 0.35
MAPK1 P28482 1/20 0.34

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
SCHEMBL22691739 1.00 MAPT (0.40) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL29926097 1.00 MAPT (0.40) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL4702415 1.00 MAPT (0.40) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL5998289 0.91 MAPT (0.37) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL22699253 0.90 ALDH1A1 (0.39) MAPTALDH1A1KMT2AL3MBTL1KDM4E
SCHEMBL4702022 0.89 MAPT (0.40) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL4702389 0.89 ALDH1A1 (0.41) MAPTALDH1A1KMT2AL3MBTL1KDM4E
SCHEMBL4702387 0.89 ALDH1A1 (0.41) MAPTALDH1A1KMT2AL3MBTL1KDM4E
SCHEMBL5997102 0.88 ALDH1A1 (0.45) MAPTALDH1A1KMT2AL3MBTL1KDM4E
SCHEMBL4703675 0.85 KDM4E (0.41) MAPTALDH1A1L3MBTL1KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12440496-B2 Natriuretic peptide receptor a agonists useful for the treatment of cardiometabolic diseases, kidney disease and diabetes MERCK SHARP & DOHME LLC (US) 2025-10-14 US disclosed
US-20220273669-A1 NATRIURETIC PEPTIDE RECEPTOR A AGONISTS USEFUL FOR THE TREATMENT OF CARDIOMETABOLIC DISEASES, KIDNEY DISEASE AND DIABETES MERCK SHARP DOHME CORP. (US) 2022-09-01 US disclosed
EP-3972590-A1 NATRIURETIC PEPTIDE RECEPTOR A AGONISTS USEFUL FOR THE TREATMENT OF CARDIOMETABOLIC DISEASES, KIDNEY DISEASE AND DIABETES Merck Sharp & Dohme Corp. (US) 2022-03-30 EP disclosed
WO-2020236688-A1 NATRIURETIC PEPTIDE RECEPTOR A AGONISTS USEFUL FOR THE TREATMENT OF CARDIOMETABOLIC DISEASES, KIDNEY DISEASE AND DIABETES MERCK SHARP & DOHME CORP. (US) 2020-11-26 WO disclosed
EP-1871776-A2 FUSED THIENO[2,3-B]PYRIDINE AND THIAZOLO[5,4-B]PYRIDINE COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY SCHERING CORPORATION (US) 2008-01-02 EP disclosed
US-20060247320-A1 Compounds for inhibiting KSP kinesin activity SCHERING CORPORATION 2006-11-02 US disclosed
WO-2006098961-A2 FUSED THIENO [2, 3-B] PYRIDINE AND THIAZOLO [5, 4-B] PYRIDINE COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY SCHERING CORPORATION (US) 2006-09-21 WO 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 (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-12440496-B2 Natriuretic peptide receptor a agonists useful for the treatment of cardiometabolic diseases, kidney disease and diabetes NPR1, NPPA, NPR3 MAPT 4803/4885ALDH1A1 2115/4885MEN1 2076/4885
US-20060247320-A1 Compounds for inhibiting KSP kinesin activity KIFC1, KIF5B, KIF2C MAPT 434/4885ALDH1A1 2371/4885MEN1 1880/4885
US-20220273669-A1 NATRIURETIC PEPTIDE RECEPTOR A AGONISTS USEFUL FOR THE TREATMENT OF CARDIOMETABOLIC DISEASES, KIDNEY DISEASE AND DIABETES NPR1, NPPA, NPR3 MAPT 4796/4885ALDH1A1 2309/4885MEN1 2047/4885

“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.