Sugi Predict

Sugi Predict / Compounds / SCHEMBL7658309

SCHEMBL7658309

SCHEMBL7658309

Cc1ccc2c(c1)Oc1sc(C)cc1C(=O)N2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MITF O75030 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ ROS1 P08922 1/20 0.44
▸ CDK5 Q00535 1/20 0.44
▸ ACVR1 Q04771 1/20 0.44
▸ LRRK2 Q5S007 1/20 0.44
▸ LMNA P02545 2/20 0.44
▸ CSNK1G1 Q9HCP0 1/20 0.42
▸ MAPT P10636 4/20 0.38
▸ POLB P06746 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL7659353 0.89 MMP12 (0.47) ALDH1A1RAB9ASMN1; SMN2MITFHTT
SCHEMBL7666555 0.86 KMT2A (0.37) ALDH1A1RAB9ASMN1; SMN2MITFHTT
SCHEMBL7661672 0.86 CES1 (0.42) ALDH1A1RAB9ASMN1; SMN2MITFHTT
SCHEMBL14605065 0.86 ALDH1A1 (0.46) ALDH1A1RAB9ASMN1; SMN2MITFHTT
SCHEMBL17224042 0.86 ALDH1A1 (0.44) ALDH1A1RAB9ASMN1; SMN2MITFHTT
SCHEMBL7658523 0.84 MAPT (0.47) ALDH1A1RAB9ASMN1; SMN2ROS1CDK5
SCHEMBL7658287 0.84 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LRRK2LMNAMAPT
SCHEMBL7665527 0.82 MAPT (0.54) ALDH1A1SMN1; SMN2HTTLMNAMAPT
Dimethylamine SCHEMBL7666545 0.81 MAPT (0.44) ALDH1A1RAB9ASMN1; SMN2ROS1CDK5
SCHEMBL23242549 0.79 MAPT (0.56) ALDH1A1RAB9ASMN1; SMN2MITFHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020042411-A1 Condensed thiophene compounds and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2002-04-11 — — US claimed
EP-1016664-A1 FUSED THIOPHENE COMPOUNDS AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-07-05 — — EP claimed
EP-2751115-B1 (THIENO[2,3-b][1,5]BENZOXAZEPIN-4-YL)PIPERAZIN-1-YL COMPOUNDS AS DUAL ACTIVITY H1 INVERSE AGONISTS/5-HT2A ANTAGONISTS LILLY CO ELI (US) 2017-09-20 — — EP disclosed
EP-2751115-B1 (THIENO[2,3-b][1,5]BENZOXAZEPIN-4-YL)PIPERAZIN-1-YL COMPOUNDS AS DUAL ACTIVITY H1 INVERSE AGONISTS/5-HT2A ANTAGONISTS LILLY CO ELI (US) 2017-09-20 — — EP disclosed
US-9512140-B2 (Thieno[2,3-b][1,5]benzoxazepin-4-yl)piperazin-1-yl compounds as dual activity H1 inverse agonists/5-HT2A antagonists ELI LILLY AND COMPANY (US) 2016-12-06 — — US disclosed
US-9512140-B2 (Thieno[2,3-b][1,5]benzoxazepin-4-yl)piperazin-1-yl compounds as dual activity H1 inverse agonists/5-HT2A antagonists ELI LILLY AND COMPANY (US) 2016-12-06 — — US disclosed
EP-2751115-A1 (THIENO[2,3-b][1,5]BENZOXAZEPIN-4-YL)PIPERAZIN-1-YL COMPOUNDS AS DUAL ACTIVITY H1 INVERSE AGONISTS/5-HT2A ANTAGONISTS Eli Lilly and Company (US) 2014-07-09 — — EP disclosed
US-20140171411-A1 (THIENO[2,3-b][1,5]BENZOXAZEPIN-4-YL)PIPERAZIN-1-YL COMPOUNDS AS DUAL ACTIVITY H1 INVERSE AGONISTS/5-HT2A ANTAGONISTS C/O ELI LILLY AND COMPANY (US) 2014-06-19 — — US disclosed
US-20140171411-A1 (THIENO[2,3-b][1,5]BENZOXAZEPIN-4-YL)PIPERAZIN-1-YL COMPOUNDS AS DUAL ACTIVITY H1 INVERSE AGONISTS/5-HT2A ANTAGONISTS C/O ELI LILLY AND COMPANY (US) 2014-06-19 — — US disclosed
WO-2013032804-A1 (THIENO[2,3-b][1,5]BENZOXAZEPIN-4-YL)PIPERAZIN-1-YL COMPOUNDS AS DUAL ACTIVITY H1 INVERSE AGONISTS/5-HT2A ANTAGONISTS ELI LILLY AND COMPANY (US) 2013-03-07 — — WO disclosed
WO-2013032804-A1 (THIENO[2,3-b][1,5]BENZOXAZEPIN-4-YL)PIPERAZIN-1-YL COMPOUNDS AS DUAL ACTIVITY H1 INVERSE AGONISTS/5-HT2A ANTAGONISTS ELI LILLY AND COMPANY (US) 2013-03-07 — — WO disclosed
US-6455521-B1 PSYCHOLOGICAL DISORDERS; SIDE EFFECT REDUCTION MITSUBISHI PHARMA CORPORATION (JP) 2002-09-24 — — US disclosed
US-20020042411-A1 Condensed thiophene compounds and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2002-04-11 — — US disclosed
US-6271225-B1 PSYCHOLOGICAL DISORDERS WELFIDE CORPORATION (JP) 2001-08-07 — — US disclosed
EP-1016664-A1 FUSED THIOPHENE COMPOUNDS AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-07-05 — — 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 (2 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-20020042411-A1 Condensed thiophene compounds and pharmaceutical use thereof ACIN1, ACHE, TPMT ALDH1A1 366/4885RAB9A 1193/4885SMN1; SMN2 1349/4885
US-20140171411-A1 (THIENO[2,3-b][1,5]BENZOXAZEPIN-4-YL)PIPERAZIN-1-YL COMPOUNDS AS DUAL ACTIVITY H1 INVERSE AGONISTS/5-HT2A ANTAGONISTS HTR2A, HRH2, HTR1B ALDH1A1 1528/4885RAB9A 2289/4885SMN1; SMN2 3035/4885

“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.