SCHEMBL3594981

SCHEMBL3594981

N#CCC(=O)c1nc2ccccc2s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.63
▸ NPC1 O15118 6/20 0.63
▸ SMN1; SMN2 Q16637 4/20 0.63
▸ HPGD P15428 2/20 0.63
▸ RECQL P46063 3/20 0.56
▸ THRB P10828 1/20 0.56
▸ ALDH1A1 P00352 4/20 0.54
▸ MAPT P10636 7/20 0.53
▸ GAA P10253 1/20 0.53
▸ MCL1 Q07820 1/20 0.53
▸ L3MBTL1 Q9Y468 3/20 0.51
▸ PKM P14618 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ MEN1 O00255 5/20 0.50
▸ KMT2A Q03164 5/20 0.50
▸ HTT P42858 3/20 0.50
▸ LMNA P02545 3/20 0.50
▸ TSHR P16473 2/20 0.50

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
SCHEMBL16155850 0.80 HSD17B1 (0.56) MAPT
SCHEMBL16808929 0.80 RAB9A (0.67) RAB9ANPC1SMN1; SMN2HPGDRECQL
SCHEMBL10313749 0.80 RAB9A (0.67) RAB9ANPC1SMN1; SMN2HPGDRECQL
SCHEMBL6647582 0.80 RAB9A (0.67) RAB9ANPC1SMN1; SMN2HPGDRECQL
SCHEMBL2097484 0.80 RAB9A (0.67) RAB9ANPC1SMN1; SMN2HPGDRECQL
SCHEMBL3592984 0.79 DYRK1A (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3586972 0.79 AGPAT2 (0.54) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL569032 0.78 ALDH1A1 (0.67) RAB9ANPC1SMN1; SMN2HPGDRECQL
SCHEMBL23617613 0.77 NPC1 (0.63) RAB9ANPC1SMN1; SMN2HPGDRECQL
SCHEMBL5973802 0.77 RAB9A (1.00) RAB9ANPC1SMN1; SMN2HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023210772-A1 PHOTOELECTRIC CONVERSION ELEMENT, IMAGING ELEMENT, PHOTOSENSOR, AND COMPOUND 富士フイルム株式会社 2023-11-02 — — WO disclosed
CN-112533999-B Coloring composition 住友化学株式会社 2023-02-17 — — CN disclosed
CN-112533999-A Coloring composition 住友化学株式会社 2021-03-19 — — CN disclosed
WO-2020031799-A1 COLORING COMPOSITION 住友化学株式会社 2020-02-13 — — WO disclosed
EP-2471786-B1 AMINOPYRAZOLE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2015-11-04 — — EP disclosed
EP-2471786-B1 AMINOPYRAZOLE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2015-11-04 — — EP disclosed
US-9102692-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-08-11 — — US disclosed
US-9102692-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-08-11 — — US disclosed
US-9102692-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-08-11 — — US disclosed
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE F. HOFFMANN-LA ROCHE AG (CH) 2014-10-23 — — US disclosed
US-8829199-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2014-09-09 — — US disclosed
US-20120208811-A1 Aminopyrazole Derivative F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 — — US disclosed
US-20120208811-A1 Aminopyrazole Derivative F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 — — US disclosed
US-20120208811-A1 Aminopyrazole Derivative F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 — — US disclosed
EP-2471786-A1 AMINOPYRAZOLE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-07-04 — — EP disclosed
WO-2011016528-A1 AMINOPYRAZOLE DERIVATIVE 中外製薬株式会社 (JP) 2011-02-10 — — WO disclosed
US-20100063065-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2010-03-11 — — US disclosed
EP-1937663-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I Inpharmatica Limited (GB) 2008-07-02 — — EP disclosed
WO-2007036730-A9 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LTD (GB) 2008-06-19 — — WO disclosed
WO-2007036730-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2007-04-05 — — 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 (3 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-20120208811-A1 Aminopyrazole Derivative FGFR1, FGFR3, FGFR4 RAB9A 2194/4885NPC1 3329/4885SMN1; SMN2 4826/4885
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IL4I1, CYP3A43 RAB9A 2456/4885NPC1 642/4885SMN1; SMN2 4605/4885
US-20100063065-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I PPARG, PPARD, PPARA RAB9A 3082/4885NPC1 818/4885SMN1; SMN2 3550/4885

“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.

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