Sugi Predict

Sugi Predict / Compounds / SCHEMBL3759273

SCHEMBL3759273

SCHEMBL3759273

COCCOC(=O)c1c(N)sc2c1CCCC2

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 15/20 0.73
▸ MAPT P10636 14/20 0.73
▸ MEN1 O00255 8/20 0.73
▸ KMT2A Q03164 8/20 0.73
▸ KDM4E B2RXH2 11/20 0.72
▸ HSD17B10 Q99714 9/20 0.72
▸ HPGD P15428 9/20 0.72
▸ ALOX15 P16050 7/20 0.72
▸ GAA P10253 5/20 0.72
▸ MAPK1 P28482 2/20 0.72
▸ SMN1; SMN2 Q16637 2/20 0.66
▸ THRB P10828 1/20 0.66
▸ TSHR P16473 4/20 0.56
▸ CASP1 P29466 1/20 0.56
▸ CASP7 P55210 1/20 0.56
▸ USP2 O75604 1/20 0.55
▸ RECQL P46063 2/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ ADORA1 P30542 2/20 0.49
▸ TAAR1 Q96RJ0 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
SCHEMBL14641131 0.85 ALDH1A1 (0.80) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL133642 0.84 MAPT (1.00) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL4090734 0.83 ALDH1A1 (0.97) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL1887318 0.83 ALDH1A1 (0.97) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL2179728 0.82 ALDH1A1 (0.70) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL1976488 0.81 MAPT (0.94) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL10714412 0.81 ALDH1A1 (0.68) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL3758303 0.81 ALDH1A1 (0.72) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL2181401 0.79 ALDH1A1 (0.67) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL2489856 0.75 ALDH1A1 (0.65) ALDH1A1MAPTMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338623-B2 N-{3-[(2,5-dimethylmorpholin-4-yl)carbonyl]-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl}hexahydro-2,5-methanopentalene-3a(1H)-carboxamide; CB2 receptors ligand; antiinflammatory, analgesic agent; autoimmune diseases; neuroprotectants ABBVIE INC. (US) 2012-12-25 — — US disclosed
US-8258128-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 — — US disclosed
US-7705044-B2 Benzamidoacetonitriles and their use as antiparasitics NOVARTIS AG (CH) 2010-04-27 — — US disclosed
EP-2176219-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2010-04-21 — — EP disclosed
US-20090197902-A1 Use of Pyrimidine Compounds in the Preparation of Parasiticides NOVARTIS AG (CH) 2009-08-06 — — US disclosed
US-20090131408-A1 Organic Compounds NOVARTIS TIERGESUNDHEIT AG (CH) 2009-05-21 — — US disclosed
WO-2009009550-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-01-15 — — WO disclosed
US-20090018114-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-01-15 — — US disclosed
US-20080227863-A1 Organic Compounds NOVARTIS AG 2008-09-18 — — US disclosed
US-7262209-B2 Carbonyloxy-cyanomethyl compounds as antiparasitic agents NOVARTIS ANIMAL HEALTH US, INC. (US) 2007-08-28 — — US disclosed
US-20070155757-A1 Use of pyrimidine compounds in the preparation of parasiticides FRUCHTEL JORG 2007-07-05 — — US disclosed
US-7109197-B2 N-phenyl-4-(4-pyridyl)-2-pyrimidineamine derivatives SYNGENTA CROP PROTECTION, INC. (US) 2006-09-19 — — US disclosed
US-20040242913-A1 Organic compounds DUCRAY PIERRE (FR) 2004-12-02 — — US disclosed
US-20040236137-A1 Organic compounds NOVARTIS ANIMAL HEALTH US, INC. 2004-11-25 — — US disclosed
US-20040220055-A1 Benzamidoacetonitriles and their use as antiparastics NOVARTIS AG (CH) 2004-11-04 — — US disclosed
US-20030236256-A1 N-phenyl-4-(4-pyridyl)-2-pyrimidineamine derivatives SYNGENTA CROP PROTECTION, INC. 2003-12-25 — — US 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 (9 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-20090197902-A1 Use of Pyrimidine Compounds in the Preparation of Parasiticides TYMP, TYMS, P2RX1 ALDH1A1 1008/4885MAPT 4514/4885MEN1 2850/4885
US-20070155757-A1 Use of pyrimidine compounds in the preparation of parasiticides TYMP, TYMS, P2RX1 ALDH1A1 1008/4885MAPT 4514/4885MEN1 2850/4885
US-20030236256-A1 N-phenyl-4-(4-pyridyl)-2-pyrimidineamine derivatives HRH4, HRH3, HRH2 ALDH1A1 1545/4885MAPT 4381/4885MEN1 4204/4885
US-20040220055-A1 Benzamidoacetonitriles and their use as antiparastics ACHE, BPNT1, NAT1 ALDH1A1 74/4885MAPT 3140/4885MEN1 451/4885
US-20040242913-A1 Organic compounds CYP1B1, BCL2A1, CYP1A1 ALDH1A1 42/4885MAPT 3999/4885MEN1 2053/4885
US-20040236137-A1 Organic compounds AOX1, OLA1, OXER1 ALDH1A1 70/4885MAPT 3762/4885MEN1 2565/4885
US-20080227863-A1 Organic Compounds OXER1, AOX1, CYP1A1 ALDH1A1 73/4885MAPT 3290/4885MEN1 1379/4885
US-20090018114-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, GPR18 ALDH1A1 1504/4885MAPT 2527/4885MEN1 3065/4885
US-20090131408-A1 Organic Compounds IL1B, IL1A, TANK ALDH1A1 50/4885MAPT 2927/4885MEN1 4851/4885

“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.