SCHEMBL3818490

SCHEMBL3818490

Cc1ccccc1-c1[c]cccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
PKM P14618 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 2/20 0.38
MITF O75030 1/20 0.38
CYP1A2 P05177 4/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2C19 P33261 3/20 0.38
NISCH Q9Y2I1 1/20 0.37
CLK4 Q9HAZ1 2/20 0.37
FLT1 P17948 1/20 0.37
CDK8 P49336 1/20 0.37
CDK9 P50750 1/20 0.37
LIMK1 P53667 1/20 0.37

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
SCHEMBL28422395 0.80 KMT2A (0.40) NPC1RAB9ASMN1; SMN2L3MBTL1GAA
SCHEMBL25317892 0.80 GRM4 (0.38) CYP1A2CDK8CCR1CCR8METAP2
SCHEMBL28138764 0.78 IDO1 (0.40) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL28018833 0.77 KDM4E (0.39) NPC1CASP3SENP8SENP7SENP6
SCHEMBL1969571 0.77 DPP4 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1NOTUM
SCHEMBL15161819 0.77 ALDH1A1 (0.35) SMN1; SMN2L3MBTL1GAACLK4LIMK1
SCHEMBL1967614 0.77 ALDH1A1 (0.43) NPC1RAB9ASMN1; SMN2PKMGAA
SCHEMBL8654587 0.74 MAPT (0.43) NPC1RAB9ASMN1; SMN2GAACYP3A4
SCHEMBL751581 0.73 HDAC8 (0.33) CYP1A2CCR1CCR8
SCHEMBL22261801 0.73 NPC1 (0.38) NPC1RAB9ASMN1; SMN2CASP3SENP8

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104837832-B GDF-8 inhibitors 里格尔药品股份有限公司 2019-04-26 CN claimed
CN-104837832-A GDF-8 inhibitors RIGEL PHARMACEUTICALS INC 2015-08-12 CN claimed
CN-106536507-B 2, 3-disubstituted pyridine compounds as TGF- β inhibitors and methods of use thereof 里格尔药品股份有限公司 2020-04-07 CN disclosed
CN-104837832-B GDF-8 inhibitors 里格尔药品股份有限公司 2019-04-26 CN disclosed
CN-106536507-A 2,3-disubstituted pyridine compounds as TGF-beta inhibitors and methods of use 里格尔药品股份有限公司 2017-03-22 CN disclosed
CN-104837832-A GDF-8 inhibitors RIGEL PHARMACEUTICALS INC 2015-08-12 CN disclosed
US-8420684-B2 imidazole derivatives; Alzheimer's Disease, Down syndrome, Huntington's Disease; hypotensive agents; sleeping/eating disorders, anxiolytic agents, antidepressants, antiepileptic agents; drug abuse/withdrawl; 4-Cyclopropylimino-5-(3,4-dihydro-2H-pyran-2-yl)-1-(3-imidazol-1-yl-propyl)-imidazolidin-2-one PROBIODRUG AG (DE) 2013-04-16 US disclosed
EP-2091945-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE Probiodrug AG (DE) 2009-08-26 EP disclosed
US-20080221086-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2008-09-11 US disclosed
WO-2008055947-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-05-15 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 (1 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-20080221086-A1 Novel Inhibitors of Glutaminyl Cyclase GLS, GLS2, GLUL NPC1 2022/4885RAB9A 2143/4885SMN1; SMN2 3467/4885

“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.