SCHEMBL2056945

SCHEMBL2056945

Cc1nc2[c]cccc2s1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 2/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
GAA P10253 1/20 0.35
ALOX5 P09917 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 1/20 0.31

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
SCHEMBL20597734 0.77 CASR (0.40) ALDH1A1L3MBTL1
SCHEMBL3289198 0.76 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9AALDH1A1HSD17B10
SCHEMBL2057008 0.76 ALDH1A1 (0.40) ALDH1A1HSD17B10HPGDTDP1
SCHEMBL5548679 0.76 PDPK1 (0.32) NPC1RAB9AALDH1A1MAPTGAA
SCHEMBL4009888 0.76 SMN1; SMN2 (0.32) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL212081 0.76
SCHEMBL6197116 0.76 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9AALDH1A1HSD17B10
SCHEMBL9163875 0.76 ALDH1A1 (0.33) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL10422668 0.72 CASR (0.33)
SCHEMBL5540904 0.72 KDM4E (0.42) SMN1; SMN2NPC1RAB9AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103275091-A Ixabepilone total synthesis SHENZHEN JATIE PHARMACEUTICAL CO LTD 2013-09-04 CN claimed
CN-1732172-A Epothilone derivatives NOVARTIS AG (CH) 2006-02-08 CN claimed
US-20060014796-A1 Epothilone derivatives DENNI-DISCHERT DONATIENNE 2006-01-19 US claimed
EP-1581536-A2 EPOTHILONE DERIVATIVES Novartis AG (CH) 2005-10-05 EP claimed
WO-2004056832-A2 EPOTHILONE DERIVATIVES NOVARTIS AG (CH) 2004-07-08 WO claimed
US-11866411-B2 Therapeutic compounds and compositions Agios Pharmaceutical, Inc. (US) 2024-01-09 US disclosed
EP-3406251-B1 PYRUVATE KINASE ACTIVATORS FOR USE IN THERAPY AGIOS PHARMACEUTICALS INC (US) 2023-11-29 EP disclosed
US-11793806-B2 Pyruvate kinase activators for use in therapy AGIOS PHARMACEUTICALS, INC. (US) 2023-10-24 US disclosed
US-RE49582-E1 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC. (US) 2023-07-18 US disclosed
CN-114432312-A Pyruvate kinase activators for therapy 安吉奥斯医药品有限公司 2022-05-06 CN disclosed
CN-108451955-B Pyruvate kinase activators for therapy 安吉奥斯医药品有限公司 2022-02-01 CN disclosed
US-20210220351-A1 PYRUVATE KINASE ACTIVATORS FOR USE IN THERAPY AGIOS PHARMACEUTICALS, INC. 2021-07-22 US disclosed
EP-1581536-A2 EPOTHILONE DERIVATIVES Novartis AG (CH) 2005-10-05 EP disclosed
WO-2004056832-A2 EPOTHILONE DERIVATIVES NOVARTIS AG (CH) 2004-07-08 WO disclosed
US-6268514-B1 TREATING INDUSTRIAL MATERIALS WITH NITROETHANE COMPOUND FOR PROTECTING AGAINST ATTACK AND DESTRUCTION BY MICROORGANISMS BASF AKTIENGESELLSCHAFT (DE) 2001-07-31 US disclosed
EP-0347766-B1 4,5,7,8-Tetrahydro-6H-thiazolo[5,4-d]azepines, their preparation and their use as medicaments THOMAE GMBH DR K (DE) 1994-05-25 EP disclosed
US-5068325-A Dopaminergic systems as hypotensives, sedatives, antitussives and/or antiphlogistics KARL THOMAE GMBH (DE) 1991-11-26 US disclosed
EP-0347766-A2 4,5,7,8-Tetrahydro-6H-thiazolo[5,4-d]azepines, their preparation and their use as medicaments Dr. Karl Thomae GmbH (DE) 1989-12-27 EP disclosed
US-4528331-A Sealant compositions having, as an essential component, hydrogenated polybutadiene as network polymer THE FIRESTONE TIRE & RUBBER COMPANY (US) 1985-07-09 US disclosed
US-4445562-A PNEUMATIC TIRES THE FIRESTONE TIRE & RUBBER COMPANY (US) 1984-05-01 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-11793806-B2 Pyruvate kinase activators for use in therapy PCK1, PDK3, PDK2 SMN1; SMN2 2747/4885NPC1 1451/4885RAB9A 4648/4885
US-20210220351-A1 PYRUVATE KINASE ACTIVATORS FOR USE IN THERAPY PCK1, PDK3, PDK2 SMN1; SMN2 2747/4885NPC1 1451/4885RAB9A 4648/4885
US-20060014796-A1 Epothilone derivatives CYP4A11, CYP51A1, EPOR SMN1; SMN2 3644/4885NPC1 1196/4885RAB9A 3289/4885
US-11866411-B2 Therapeutic compounds and compositions PDK1, PDK2, PDK3 SMN1; SMN2 3641/4885NPC1 2350/4885RAB9A 3605/4885

“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.