SCHEMBL6007440

SCHEMBL6007440

O=[C]c1cccc2nc3ccccc3nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
ALDH1A1 P00352 3/20 0.50
RAB9A P51151 3/20 0.50
GAA P10253 2/20 0.50
KMT2A Q03164 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NQO2 P16083 9/20 0.46
ACHE P22303 1/20 0.40
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
NPC1 O15118 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 2/20 0.37
BLM P54132 2/20 0.37
THRB P10828 1/20 0.37
MAPK1 P28482 1/20 0.37
ATM Q13315 1/20 0.37
MYC P01106 1/20 0.36
MAX P61244 1/20 0.36

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
SCHEMBL28345776 0.82 NR1H2 (0.41) MAPTALDH1A1RAB9AGAAKMT2A
SCHEMBL28343017 0.81 MAPT (0.44) MAPTALDH1A1RAB9ANQO2CYP1A2
SCHEMBL7718132 0.80 TDP1 (0.46) MAPTALDH1A1RAB9AGAAKMT2A
SCHEMBL1998596 0.79 ALDH1A1 (0.50) MAPTALDH1A1RAB9AGAAKMT2A
SCHEMBL6007386 0.79 MAPT (0.50) MAPTALDH1A1RAB9AGAAKMT2A
SCHEMBL8891970 0.79 ALDH1A1 (0.50) MAPTALDH1A1RAB9AGAAKMT2A
SCHEMBL11285835 0.72 PARP1 (0.35) ALDH1A1RAB9ANQO2ACHENPC1
SCHEMBL4654883 0.71 MAPT (0.69) MAPTALDH1A1RAB9AGAAKMT2A
SCHEMBL345561 0.71 MAPT (0.56) MAPTALDH1A1RAB9AGAAKMT2A
SCHEMBL97050 0.71 KDM4E (0.48) MAPTALDH1A1RAB9AGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106957317-B Novel pyrazole derivatives 持田制药株式会社 2019-12-31 CN disclosed
US-9777000-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2017-10-03 US disclosed
US-20160347751-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-12-01 US disclosed
US-9458157-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-10-04 US disclosed
US-9453015-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-09-27 US disclosed
US-9440970-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-09-13 US disclosed
EP-2963037-A1 NOVEL PYRAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2016-01-06 EP disclosed
US-20150266839-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-09-24 US disclosed
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-08-13 US disclosed
US-9072758-B2 Cyclic amide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 US disclosed
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-08-30 US disclosed
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 US disclosed
EP-1207161-B1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2006-01-18 EP disclosed
US-6777410-B2 SUCH AS 9-(2-METHOXYPHENYL)-3-(1-METHYLETHYL)-(1,3)OXAZOLO-(2,3)ISOINDOLE-2,5(3H,9H)-DIONE; DIABETES AND COMPLICATIONS; OBESITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-08-17 US disclosed
US-20040053923-A1 Novel isoindole derivatives BANYU PHARMACEUTICAL CO., LTD. 2004-03-18 US disclosed
US-6608098-B1 Diabetes or obesity, 2-(4-(3-isopropyl-2,5-dioxo-2,3-dihydro-1H-pyrrolo(2,1-a) isoindol-9(5H)-yl)phenoxy)-N-propylacetamide BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-08-19 US disclosed
EP-1207161-A1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-22 EP disclosed
EP-0657429-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE 1,4-DIHYDROPYRIDINE COMPOUNDS MERCIAN CORP (JP) 2001-04-11 EP disclosed
US-5635395-A Optically active 1,4-dihydropyridine compounds and the microbial process for the stereoselection thereof MERCIAN CORPORATION (JP) 1997-06-03 US disclosed
EP-0657429-A1 OPTICALLY ACTIVE 1,4-DIHYDROPYRIDINE COMPOUND AND PROCESS FOR PRODUCING THE SAME MERCIAN CORPORATION (JP) 1995-06-14 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 (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-20150266839-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR4A1 MAPT 4733/4885ALDH1A1 3399/4885RAB9A 2989/4885
US-20150225392-A1 CYCLIC AMIDE DERIVATIVE GPR119, NR0B1, NR2C2 MAPT 4646/4885ALDH1A1 3218/4885RAB9A 2579/4885
US-20160347751-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A MAPT 75/4885ALDH1A1 387/4885RAB9A 232/4885
US-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE GPR119, GPR27, NR0B1 MAPT 4385/4885ALDH1A1 2875/4885RAB9A 3184/4885
US-20040053923-A1 Novel isoindole derivatives GPR119, SLC5A2, SLC5A1 MAPT 4279/4885ALDH1A1 228/4885RAB9A 965/4885
US-20120220772-A1 NOVEL 3-HYDROXY-5-ARYLISOXAZOLE DERIVATIVE GPR119, GPR27, NR0B1 MAPT 4698/4885ALDH1A1 2867/4885RAB9A 3294/4885

“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.