SCHEMBL435089

SCHEMBL435089

Cc1cccc2c1OC(C)(C)C2

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
PKM P14618 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 3/20 0.41
NPC1 O15118 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTBP1 P26599 1/20 0.39
MCOLN3 Q8TDD5 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
SCHEMBL18536181 0.82 ALDH1A1 (0.49) LMNAPKMNPSR1POLBALDH1A1
SCHEMBL11223734 0.81 IDO1 (0.39) LMNAPKMNPSR1POLBSMN1; SMN2
SCHEMBL17193796 0.81 LMNA (0.34) LMNAPKMNPSR1POLBSMN1; SMN2
SCHEMBL8473812 0.78 HTR2C (0.34) LMNAPOLBSMN1; SMN2
SCHEMBL569823 0.78 LMNA (0.48) LMNAPKMNPSR1POLBALDH1A1
SCHEMBL10737745 0.78 PKM (0.50) LMNAPKMNPSR1POLBALDH1A1
SCHEMBL30350713 0.78 LMNA (0.48) LMNAPKMNPSR1POLBSMN1; SMN2
SCHEMBL15485106 0.78 LMNA (0.51) LMNAPKMNPSR1POLBALDH1A1
SCHEMBL10610789 0.78 LMNA (0.48) LMNAPKMNPSR1POLBALDH1A1
SCHEMBL16127631 0.78 LMNA (0.48) LMNAPKMNPSR1POLBSMN1; 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 189 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3661921-B1 SELECTIVE INHIBITORS OF NLRP3 INFLAMMASOME NODTHERA LTD (GB) 2023-10-18 EP disclosed
US-20220411419-A1 SMALL MOLECULE MODULATORS OF MHC-I RETROVIROX, INC. 2022-12-29 US disclosed
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-03-15 US disclosed
EP-3353167-B1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-06-24 EP disclosed
US-10562897-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators JANSSEN PHARMACEUTICA NV (BE) 2020-02-18 US disclosed
EP-3495365-A1 P2X7 MODULATORS Janssen Pharmaceutica NV (BE) 2019-06-12 EP disclosed
US-10246454-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators JANSSEN PHARMACEUTICA NV (BE) 2019-04-02 US disclosed
WO-2019025467-A1 SELECTIVE INHIBITORS OF NLRP3 INFLAMMASOME NodThera Limited (GB) 2019-02-07 WO disclosed
EP-2970267-B3 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-30 EP disclosed
US-9846160-B2 Ganglioside GD2 as a marker and target on cancer stem cells BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEMS (US) 2017-12-19 US disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 US disclosed
EP-1270577-B1 FUROISOQUINOLINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2006-12-06 EP disclosed
WO-2006070192-A1 THIAZOLE AND ISOTHIAZOLE DERIVATIVES THAT MODULATE THE ACIVITY OF CDK, GSK AND AURORA KYNASES ASTEX THERAPEUTICS LIMITED (GB) 2006-07-06 WO disclosed
US-6924292-B2 Furoisoquinoline derivatives, process for producing the same and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-02 US disclosed
WO-2005002552-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 WO disclosed
US-20040092582-A1 Furoisoquinoline derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 US disclosed
EP-1270577-A1 FUROISOQUINOLINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-01-02 EP disclosed
US-4748186-A NEMATOCIDES, ANTHELMINTICS FMC CORPORATION (US) 1988-05-31 US disclosed
WO-1988000183-A1 S-TRIFLUOROBUTENYL DERIVATIVES AND PESTICIDAL USES FMC CORPORATION (US) 1988-01-14 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-10246454-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators BACE1, BACE2, PSEN1 LMNA 423/4885PKM 2416/4885NPSR1 581/4885
US-20220411419-A1 SMALL MOLECULE MODULATORS OF MHC-I CD74, HLA-DRB1, MICA LMNA 4394/4885PKM 2482/4885NPSR1 4134/4885
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone CRH, MC2R, HTR3C LMNA 258/4885PKM 1398/4885NPSR1 29/4885
US-20040092582-A1 Furoisoquinoline derivatives, process for producing the same and use thereof PDE3B, PDE5A, PDE3A LMNA 4533/4885PKM 2009/4885NPSR1 3231/4885
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A LMNA 2744/4885PKM 1714/4885NPSR1 934/4885
US-10562897-B2 Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators BACE1, BACE2, PSEN1 LMNA 423/4885PKM 2416/4885NPSR1 581/4885

“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.