Sugi Predict

Sugi Predict / Compounds / SCHEMBL757478

SCHEMBL757478

SCHEMBL757478

COCCNC(=O)c1ccc(C)cc1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.73
▸ KMT2A Q03164 3/20 0.73
▸ ALDH1A1 P00352 4/20 0.68
▸ HPGD P15428 3/20 0.68
▸ POLB P06746 2/20 0.66
▸ LMNA P02545 1/20 0.66
▸ MMP13 P45452 1/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ MEN1 O00255 2/20 0.59
▸ MAPT P10636 1/20 0.59
▸ RAB9A P51151 3/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ ALOX12 P18054 1/20 0.59
▸ HTT P42858 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58

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
SCHEMBL23509565 0.90 NPC1 (0.65) NPC1KMT2AALDH1A1HPGDPOLB
SCHEMBL12301882 0.89 ALDH1A1 (0.86) NPC1KMT2AALDH1A1HPGDPOLB
SCHEMBL17914163 0.87 NPC1 (0.71) NPC1KMT2AALDH1A1POLBLMNA
SCHEMBL11220601 0.86 LMNA (0.85) NPC1KMT2AALDH1A1POLBLMNA
SCHEMBL4506194 0.85 ALDH1A1 (0.68) NPC1KMT2AALDH1A1HPGDMEN1
SCHEMBL23470985 0.85 HPGD (0.73) NPC1KMT2AALDH1A1HPGDLMNA
SCHEMBL4694425 0.85 ALDH1A1 (0.68) NPC1KMT2AALDH1A1HPGDPOLB
SCHEMBL12065394 0.85 ALDH1A1 (0.59) NPC1KMT2AALDH1A1HPGDPOLB
SCHEMBL12301884 0.84 NPC1 (0.67) NPC1KMT2AALDH1A1HPGDPOLB
SCHEMBL14947120 0.84 NPC1 (0.67) NPC1KMT2AALDH1A1HPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023011573-A1 AROMATIC ACETYLENE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 浙江海正药业股份有限公司 2023-02-09 — — WO disclosed
WO-2022224212-A1 GPR35 AGONIST COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2022-10-27 — — WO disclosed
US-10208030-B2 GPR119 agonist compounds MANKIND PHARMA LTD. (IN) 2019-02-19 — — US disclosed
WO-2017214005-A1 2-(BENZOTHIAZOL-2-YL)-2-CYANO-ACETAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIAL LIPASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-12-14 — — WO disclosed
US-20170291894-A1 NOVEL GPR119 AGONIST COMPOUNDS MANKIND PHARMA LTD. (IN) 2017-10-12 — — US disclosed
US-20170291910-A1 NOVEL COMPOUNDS AS GPR119 AGONISTS MANKIND PHARMA LTD. (IN) 2017-10-12 — — US disclosed
WO-2017175066-A1 HETEROCYCLIC GPR119 AGONIST COMPOUNDS MANKIND PHARMA LTD. (IN) 2017-10-12 — — WO disclosed
WO-2017175068-A1 THIAZOLOPYRIDINE DERIVATIVES AS GPR119 AGONISTS MANKIND PHARMA LTD. (IN) 2017-10-12 — — WO disclosed
US-20160333011-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-11-17 — — US disclosed
EP-2655357-B1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO SA (CH) 2016-06-22 — — EP disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 — — US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 — — US disclosed
US-20070225296-A1 Arylalkylamine Compound and Process for Preparing the Same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-09-27 — — US disclosed
US-20070225296-A1 Arylalkylamine Compound and Process for Preparing the Same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-09-27 — — US disclosed
WO-2007070818-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 — — WO disclosed
WO-2007070816-A2 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 — — WO disclosed
WO-2007070826-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 — — WO disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 — — WO disclosed
CN-1968937-A Pyrimidin-4-one derivatives and their use as P38 kinase modulators PHARMACIA CORP (US) 2007-05-23 — — CN disclosed
EP-1757582-A1 ARYLALKYLAMINES AND PROCESS FOR PRODUCTION THEREOF TANABE SEIYAKU CO., LTD. (JP) 2007-02-28 — — 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 (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-20160333011-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 NPC1 3307/4885KMT2A 1937/4885ALDH1A1 2328/4885
US-20170291910-A1 NOVEL COMPOUNDS AS GPR119 AGONISTS GPR119, GPR84, GPR65 NPC1 907/4885KMT2A 3084/4885ALDH1A1 1682/4885
US-20070225296-A1 Arylalkylamine Compound and Process for Preparing the Same CASR, CNR1, CNR2 NPC1 1831/4885KMT2A 1688/4885ALDH1A1 3487/4885
US-20170291894-A1 NOVEL GPR119 AGONIST COMPOUNDS GPR119, GPR84, GPR88 NPC1 842/4885KMT2A 2754/4885ALDH1A1 1629/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 NPC1 2588/4885KMT2A 2349/4885ALDH1A1 475/4885
US-10208030-B2 GPR119 agonist compounds GPR119, GPR84, GPR65 NPC1 685/4885KMT2A 3467/4885ALDH1A1 1844/4885

“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.