SCHEMBL1338566

SCHEMBL1338566

Cc1cccc(C2=NCCO2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL1338582 0.90 CHRNB4 (0.53) NISCHCHRNB4CHRNA3RAB9ANPC1
SCHEMBL105809 0.87 NPC1 (0.41) NISCHNPC1SMN1; SMN2
SCHEMBL20410845 0.83 NPC1 (0.39) NISCHNPC1SMN1; SMN2
SCHEMBL10520530 0.80 KCNH2 (0.38) CHRNB4CHRNA3NPC1SMN1; SMN2
Carbimide SCHEMBL29055881 0.80 NPC1 (0.37) NISCHNPC1SMN1; SMN2
SCHEMBL27260114 0.80 NISCH (0.46) NISCHNPC1SMN1; SMN2
SCHEMBL23054974 0.79 KCNH2 (0.37) CHRNB4CHRNA3NPC1
SCHEMBL7745017 0.79 MECP2 (0.46) HPGDALDH1A1MAPTKMT2A
SCHEMBL4751753 0.79 CHRNB4 (0.47) CHRNB4CHRNA3ALDH1A1HSD17B10
SCHEMBL29364765 0.79 CHRNB4 (0.47) CHRNB4CHRNA3RAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115108987-B N-substituted indenoisoquinolinone derivative and preparation method thereof 华侨大学 2023-05-26 CN claimed
CN-115108987-A N-substituted indenoisoquinolinone derivative and preparation method thereof 华侨大学 2022-09-27 CN claimed
CN-115108987-B N-substituted indenoisoquinolinone derivative and preparation method thereof 华侨大学 2023-05-26 CN disclosed
CN-115108987-A N-substituted indenoisoquinolinone derivative and preparation method thereof 华侨大学 2022-09-27 CN disclosed
US-9212118-B2 Synthesis of intermediates for preparing anacetrapib and derivatives thereof LEK PHARMACEUTICALS D.D. (SI) 2015-12-15 US disclosed
US-20140135368-A1 SYNTHESIS OF INTERMEDIATES FOR PREPARING ANACETRAPIB AND DERIVATIVES THEREOF LEK PHARMACEUTICALS D.D. (SI) 2014-05-15 US disclosed
US-8063205-B2 Method for producing 2-oxazoline analogue or 1,3-oxazine analogue NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2011-11-22 US disclosed
US-8063205-B2 Method for producing 2-oxazoline analogue or 1,3-oxazine analogue NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2011-11-22 US disclosed
US-8063205-B2 Method for producing 2-oxazoline analogue or 1,3-oxazine analogue NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2011-11-22 US disclosed
US-20090281309-A1 METHOD FOR PRODUCING 2-OXAZOLINE ANALOGUE OR 1,3-OXAZINE ANALOGUE NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2009-11-12 US disclosed
US-20090281309-A1 METHOD FOR PRODUCING 2-OXAZOLINE ANALOGUE OR 1,3-OXAZINE ANALOGUE NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2009-11-12 US disclosed
EP-1956012-A1 METHOD FOR PRODUCING 2-OXAZOLINE ANALOGUE OR 1,3-OXAZINE ANALOGUE National University Corporation Hokkaido University (JP) 2008-08-13 EP disclosed
EP-1956012-A1 METHOD FOR PRODUCING 2-OXAZOLINE ANALOGUE OR 1,3-OXAZINE ANALOGUE National University Corporation Hokkaido University (JP) 2008-08-13 EP disclosed
EP-0313994-B1 Cross-linked resins TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-01-12 EP disclosed
EP-0548930-A1 Method of producing hot melt resin for prepreg TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-06-30 EP disclosed
EP-0470104-A1 A PROCESS FOR MAKING 2-OXAZOLINES Henkel Kommanditgesellschaft auf Aktien (DE) 1992-02-12 EP disclosed
WO-1990013546-A1 A PROCESS FOR MAKING 2-OXAZOLINES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1990-11-15 WO disclosed
EP-0394849-A1 Process for the preparation of 2-oxazolines Henkel Kommanditgesellschaft auf Aktien (DE) 1990-10-31 EP disclosed
US-4902760-A Cross-linked resins TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-02-20 US disclosed
EP-0313994-A1 Cross-linked resins Takeda Chemical Industries, Ltd. (JP) 1989-05-03 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-20140135368-A1 SYNTHESIS OF INTERMEDIATES FOR PREPARING ANACETRAPIB AND DERIVATIVES THEREOF CYP2B6, CYP4B1, CIAPIN1 NISCH 388/4885CHRNB4 3341/4885CHRNA3 3411/4885
US-20090281309-A1 METHOD FOR PRODUCING 2-OXAZOLINE ANALOGUE OR 1,3-OXAZINE ANALOGUE OXA1L, SULT1A1, DAO NISCH 1334/4885CHRNB4 1955/4885CHRNA3 795/4885

“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.