SCHEMBL505240

SCHEMBL505240

O=C(O)c1ccc(-n2ccccc2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA9 Q16790 2/20 0.53
CA2 P00918 1/20 0.53
SCN2A Q99250 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
F10 P00742 6/20 0.49
APEX1 P27695 2/20 0.49
RECQL P46063 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
POLB P06746 1/20 0.49
HTT P42858 1/20 0.49
DDAH1 O94760 1/20 0.48
TSHR P16473 2/20 0.48
DAO P14920 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
NSD2 O96028 1/20 0.48
DNMT1 P26358 1/20 0.48
MCL1 Q07820 1/20 0.48

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
Hydrochloric Acid SCHEMBL4747459 0.98 CA12 (0.51) CA12CA1CA9CA2SCN2A
SCHEMBL1998322 0.83 F10 (0.51) F10
SCHEMBL4238560 0.83 F10 (0.58) L3MBTL1F10RECQLTDP1POLB
SCHEMBL6049982 0.83 KMT2A (0.53) F10
SCHEMBL143175 0.81 ALDH1A1 (0.54) F10MCL1
SCHEMBL30842094 0.80 POLB (0.60) L3MBTL1APEX1RECQLTDP1POLB
SCHEMBL27636316 0.80 TPMT (0.48) L3MBTL1F10RECQLTDP1POLB
SCHEMBL6377479 0.79 FGFR1 (0.55) CA12CA1CA9CA2L3MBTL1
SCHEMBL8303306 0.79 F10 (0.54) F10
SCHEMBL27695347 0.78 HCAR1 (0.46) F10TDP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111548345-B Benzimidazole derivative and preparation method and application thereof 中山大学 2021-10-15 CN disclosed
CN-111548345-A Benzimidazole derivative and preparation method and application thereof 中山大学 2020-08-18 CN disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
US-8541457-B2 Aminothiazole derivatives as human stearoyl-CoA desaturase inhibitors XENON PHARMACEUTICALS INC. (CA) 2013-09-24 US disclosed
US-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2013-04-18 US disclosed
EP-2540296-A1 Arminothiazole derivatives as human stearoyl-coa desaturase inhibitors Xenon Pharmaceuticals Inc. (CA) 2013-01-02 EP disclosed
EP-2414328-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS Merck Serono S.A. (CH) 2012-02-08 EP disclosed
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2012-02-02 US disclosed
US-20110046134-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE BISCHOFF ALEXANDER 2011-02-24 US disclosed
US-7842696-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-30 US disclosed
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
EP-1684744-A2 PYRROLIDINE AND PIPERIDINE DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2006-08-02 EP disclosed
EP-1603572-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2005-12-14 EP disclosed
US-20050119266-A1 Pyrrolidine and piperidine derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-06-02 US disclosed
WO-2005032472-A2 PYRROLIDINE AND PIPERIDINE DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-14 WO disclosed
US-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US disclosed
WO-2004082687-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 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 (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-20130096056-A1 AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS SCD, SCD5, ACAT1 CA12 4854/4885CA1 4730/4885CA9 4541/4885
US-20110046134-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 CA12 4790/4885CA1 4566/4885CA9 4727/4885
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS F12, F2, PEPD CA12 432/4885CA1 232/4885CA9 801/4885
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, FH, DPYD CA12 2228/4885CA1 838/4885CA9 668/4885
US-20050119266-A1 Pyrrolidine and piperidine derivatives as factor Xa inhibitors PEPD, SERPINE1, PRSS1 CA12 2670/4885CA1 896/4885CA9 1097/4885
US-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors PEPD, TFPI, F2 CA12 564/4885CA1 309/4885CA9 560/4885

“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.