SCHEMBL354043

SCHEMBL354043

Cc1cc(-c2ccccc2)no1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.61
NPC1 O15118 12/20 0.61
CASP3 P42574 1/20 0.59
SENP8 Q96LD8 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
SENP6 Q9GZR1 1/20 0.59
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
NOTUM Q6P988 2/20 0.53
TP53 P04637 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
NFKB1 P19838 1/20 0.49
CYP2C19 P33261 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
MAPT P10636 2/20 0.47
CYP11B1 P15538 1/20 0.47

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
Ammonia Solution, Strong SCHEMBL27941306 0.98 RAB9A (0.59) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL27425755 0.96 RAB9A (0.61) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL13844497 0.84 RAB9A (0.53) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL12112412 0.83 RAB9A (0.66) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL28938010 0.82 PTPN1 (0.44) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL12586462 0.82 RAB9A (0.49) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL4588205 0.81 RAB9A (0.50) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL9409756 0.79 HSD17B1 (0.53) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL2301990 0.79 RAB9A (0.57) RAB9ANPC1MEN1KMT2ANOTUM
SCHEMBL14117652 0.79 ACHE (0.52) RAB9ANPC1CASP3SENP8SENP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115611921-B Oxacillin acid amine salt and related crystal forms 成都倍特药业股份有限公司 2024-04-09 CN claimed
CN-117126118-A Synthesis method of celecoxib 上海应用技术大学 2023-11-28 CN claimed
US-20230339870-A1 CINNAMIC AMIDE DERIVATIVE HAVING FXR ACTIVATING EFFECT, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AS ACTIVE INGREDIENT, AND METHOD FOR PREPARING THE SAME KYUNGSUNG UNIVERSITY INDUSTRY COOPERATION FOUNDATION (KR) 2023-10-26 US claimed
CN-115611921-A Oxacillin acid amine salt and related crystal form 成都倍特药业股份有限公司 2023-01-17 CN claimed
CN-107202777-A A kind of small molecule chip, its construction method, its application and its detection method 广州高通生物技术有限公司 2017-09-26 CN claimed
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US claimed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP claimed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO claimed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 US claimed
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO claimed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 US claimed
US-6172261-B1 BIOSYNTHESIS USING CHAIN EXTENSION ORIDIGM CORPORATION 2001-01-09 US claimed
EP-1001927-A2 NOVEL POLYAMINE ANALOGUES AS THERAPEUTIC AND DIAGNOSTIC AGENTS ORIDIGM CORPORATION (US) 2000-05-24 EP claimed
WO-1999003823-A2 NOVEL POLYAMINE ANALOGUES AS THERAPEUTIC AND DIAGNOSTIC AGENTS ORIDIGM CORPORATION (US) 1999-01-28 WO claimed
US-20260027088-A1 Inhibitors of Glutathione S-Transferases (GSTS) and NAD(P)H:Quinone Oxidoreductase 1 (NQO1), Pharmaceutical Compositions, and Uses in Managing Cancer UNIV EMORY (US) 2026-01-29 US disclosed
US-12478614-B2 Inhibitors of glutathione s-transferases (GSTs) and NAD(P)H:quinone oxidoreductase 1 (NQO1), pharmaceutical compositions, and uses in managing cancer EMORY UNIVERSITY (US) 2025-11-25 US disclosed
CN-117126118-B Ground-substituting test Synthesis method of shake 上海应用技术大学 2025-07-25 CN disclosed
EP-0140949-A1 NOVEL CEPHALOSPORIN DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, THEIR USE IN THERAPY AS ANTIBIOTICS AND A PROCESS FOR THE PREPARATION OF THE NOVEL COMPOUNDS BIOGAL GYOGYSZERGYAR (HU) 1985-05-15 EP disclosed
WO-1984004096-A1 NOVEL CEPHALOSPORIN DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, THEIR USE IN THERAPY AS ANTIBIOTICS AND A PROCESS FOR THE PREPARATION OF THE NOVEL COMPOUNDS BIOGAL GYOGYSZERGYAR (HU) 1984-10-25 WO disclosed
US-4282212-A Immune-stimulating 1-(N-acylcarbamoyl)-2-cyanoaziridines BOEHRINGER MANNHEIM GMBH (DE) 1981-08-04 US 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 (6 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-20230339870-A1 CINNAMIC AMIDE DERIVATIVE HAVING FXR ACTIVATING EFFECT, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AS ACTIVE INGREDIENT, AND METHOD FOR PREPARING THE SAME CEL, NR1H4, FXR1 RAB9A 1432/4885NPC1 24/4885CASP3 3280/4885
US-20080015237-A1 NEW COMPOUNDS I/418 KCNH1, KCNH2, KCNH3 RAB9A 483/4885NPC1 790/4885CASP3 1034/4885
US-12478614-B2 Inhibitors of glutathione s-transferases (GSTs) and NAD(P)H:quinone oxidoreductase 1 (NQO1), pharmaceutical compositions, and uses in managing cancer NQO1, GSTA1, GGT1 RAB9A 1263/4885NPC1 619/4885CASP3 2513/4885
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 RAB9A 20/4885NPC1 4197/4885CASP3 2634/4885
US-20260027088-A1 Inhibitors of Glutathione S-Transferases (GSTS) and NAD(P)H:Quinone Oxidoreductase 1 (NQO1), Pharmaceutical Compositions, and Uses in Managing Cancer NQO1, GSTP1, GSTA1 RAB9A 3015/4885NPC1 2838/4885CASP3 2930/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 RAB9A 899/4885NPC1 1060/4885CASP3 546/4885

“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.