SCHEMBL4289783

SCHEMBL4289783

CCOC(=O)c1ccc(NC(C)=O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.71
RECQL P46063 1/20 0.71
TSHR P16473 2/20 0.69
RAB9A P51151 6/20 0.67
SMN1; SMN2 Q16637 6/20 0.67
KMT2A Q03164 6/20 0.67
MEN1 O00255 5/20 0.67
GAA P10253 4/20 0.67
NPC1 O15118 3/20 0.67
MAPT P10636 3/20 0.67
CASP3 P42574 1/20 0.67
TRPV1 Q8NER1 1/20 0.67
SENP7 Q9BQF6 1/20 0.67
TP53 P04637 1/20 0.67
POLB P06746 1/20 0.67
ALDH1A1 P00352 3/20 0.65
KDM4E B2RXH2 2/20 0.65
PKM P14618 1/20 0.65
MAPK1 P28482 1/20 0.65
HSD17B10 Q99714 1/20 0.65

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
SCHEMBL9422337 0.87 SMN1; SMN2 (0.73) HPGDRECQLTSHRRAB9ASMN1; SMN2
SCHEMBL813535 0.87 HPGD (0.79) HPGDRECQLRAB9ASMN1; SMN2KMT2A
SCHEMBL5879030 0.86 RAB9A (0.88) TSHRRAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL10941324 0.86 NAMPT (0.69) HPGDRECQLTSHRRAB9ASMN1; SMN2
SCHEMBL10943445 0.86 RAB9A (0.88) TSHRRAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL7473283 0.86 HPGD (0.67) HPGDRECQLTSHRRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL11161378 0.85 HPGD (0.80) HPGDRECQLTSHRRAB9ASMN1; SMN2
SCHEMBL5947516 0.85 TSHR (0.77) TSHRRAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL4915127 0.85 MAPT (0.75) TSHRRAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL6691604 0.85 TSHR (0.72) TSHRRAB9ASMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060110743-A1 Drug evolution: drug design at hot spots KONISHI YASUO 2006-05-25 US claimed
WO-2002095393-A2 DRUG EVOLUTION: DRUG DESIGN AT HOT SPOTS NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2002-11-28 WO claimed
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 US disclosed
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-11-07 US disclosed
CN-113671082-A Gas chromatography-ultra-high resolution mass spectrometry-based method for screening migration hazards in gutta-percha 中国检验检疫科学研究院 2021-11-19 CN disclosed
WO-2021155253-A1 ANAT INHIBITORS AND METHODS OF USE THEREOF Atomwise Inc. (US) 2021-08-05 WO disclosed
EP-3661495-A1 COMPOSITIONS FOR USE FOR TREATING CUTANEOUS LEISHMANIASIS BIONOOX SA (CH) 2020-06-10 EP disclosed
US-20200155503-A1 COMPOSITIONS FOR USE FOR TREATING CUTANEOUS LEISHMANIASIS BIONOOX SA (CH) 2020-05-21 US disclosed
CN-110996939-A Compositions for use in methods of treating cutaneous leishmaniasis 诺克斯生物公司 2020-04-10 CN disclosed
WO-2019025606-A1 COMPOSITIONS FOR USE FOR TREATING CUTANEOUS LEISHMANIASIS BIONOOX SA (CH) 2019-02-07 WO disclosed
US-20170129863-A1 IMINOSYDNONE DERIVATIVES FOR CONJUGATION AND RELEASE OF COMPOUNDS OF INTEREST CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2017-05-11 US disclosed
CN-1295064-A Novel tricyclic compounds and pharmaceutical compositions containing them ASAHI CHEMICAL IND (JP) 2001-05-16 CN disclosed
US-6214838-B1 WHICH ARE STABLE TO METABOLISM BY THE BODY AND EXHIBITS ANTI-INFLAMMATORY ACTIVITY, BONE RESORPTION INHIBITORY ACTIVITY AND ACTIVITY IN INHIBITING PRODUCTION OF IMMUNOCYTOKINES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-10 US disclosed
EP-1087977-A1 THIENODIPYRIDINE DERIVATIVES, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-04-04 EP disclosed
WO-1999065916-A1 THIENODIPYRIDINE DERIVATIVES, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-12-23 WO disclosed
CN-1168675-A Novel compounds FUJISAWA PHARMACEUTICAL CO (JP) 1997-12-24 CN disclosed
US-5602277-A Substituted benzene derivatives useful as neuraminidase inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 1997-02-11 US disclosed
WO-1996030329-A1 SUBSTITUTED BENZENE DERIVATIVES USEFUL AS NEURAMINIDASE INHIBITORS BIOCRYST PHARMACEUTICALS, INCORPORATED (US) 1996-10-03 WO disclosed
US-5286728-A Amino-substituted piperazine derivatives CIBA-GEIGY CORPORATION (US) 1994-02-15 US disclosed
US-4183931-A SEDATIVE-HYPNOTICS, ANTICONVULSANTS, CENTRAL NERVOUS SYSTEM DEPRESSANTS RESEARCH CORPORATION (US) 1980-01-15 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 (4 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-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators PDE4A, PDE4B, PDE5A HPGD 312/4885RECQL 59/4885TSHR 2647/4885
US-20200155503-A1 COMPOSITIONS FOR USE FOR TREATING CUTANEOUS LEISHMANIASIS KEAP1, CYP46A1, IL1B HPGD 228/4885RECQL 923/4885TSHR 4791/4885
US-11806337-B2 Small molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and uses thereof NAMPT, NAPRT, NNT HPGD 139/4885RECQL 2693/4885TSHR 3541/4885
US-20170129863-A1 IMINOSYDNONE DERIVATIVES FOR CONJUGATION AND RELEASE OF COMPOUNDS OF INTEREST IPO5, IDE, IMPDH1 HPGD 165/4885RECQL 978/4885TSHR 3655/4885

“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.