Sugi Predict

Sugi Predict / Compounds / SCHEMBL10166444

SCHEMBL10166444

SCHEMBL10166444

Cc1occc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ HPGD P15428 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TSHR P16473 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ PKM P14618 2/20 0.40
▸ CYP2A6 P11509 1/20 0.40
▸ CYP2B6 P20813 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ NT5E P21589 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ GAA P10253 1/20 0.38
▸ CHRM2 P08172 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
SCHEMBL28591984 0.77 NPC1 (0.39) NPC1SMN1; SMN2RAB9AHPGDL3MBTL1
SCHEMBL12892528 0.77 SMN1; SMN2 (0.62) NPC1SMN1; SMN2RAB9AHPGDL3MBTL1
SCHEMBL16807848 0.77 MAPK14 (0.50) NPC1SMN1; SMN2RAB9AHPGDL3MBTL1
SCHEMBL28603987 0.76 NPC1 (0.38) NPC1SMN1; SMN2RAB9AHPGDL3MBTL1
SCHEMBL25706171 0.75 CHRM2 (0.51) HPGDTSHRALDH1A1HSD17B10CYP2A6
SCHEMBL28190794 0.74 KDM4E (0.48) RAB9AALDH1A1KDM4E
SCHEMBL887941 0.73 CHRM2 (0.50) HPGDALDH1A1KDM4EHSD17B10CYP2A6
SCHEMBL25450919 0.73 KIF11 (0.46) NPC1SMN1; SMN2RAB9AALDH1A1NT5E
SCHEMBL28239074 0.73 PTPRC (0.41) NPC1SMN1; SMN2RAB9AHPGDL3MBTL1
SCHEMBL8890659 0.71 CHRM2 (0.38) HPGDTSHRALDH1A1HSD17B10CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103384668-B compounds and compositions for inhibition of NAMPT 福马TM有限责任公司 2017-05-31 — — CN claimed
EP-3002283-B1 THIAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO LTD (JP) 2017-06-14 — — EP disclosed
EP-3002283-A1 THIAZOLE DERIVATIVES Kyowa Hakko Kirin Co., Ltd. (JP) 2016-04-06 — — EP disclosed
US-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 — — US disclosed
US-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 — — US disclosed
US-8907092-B2 Inhibitors of IAP GENENTECH, INC. (US) 2014-12-09 — — US disclosed
US-8907092-B2 Inhibitors of IAP GENENTECH, INC. (US) 2014-12-09 — — US disclosed
US-8889718-B2 Thiazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-11-18 — — US disclosed
US-8889718-B2 Thiazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-11-18 — — US disclosed
US-20130267509-A1 THIAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2013-10-10 — — US disclosed
US-20100256115-A1 INHIBITORS OF IAP COHEN FREDERICK 2010-10-07 — — US disclosed
US-20100179118-A1 CYCLIC AMINOALKYLCARBOXAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-15 — — US disclosed
US-20100179118-A1 CYCLIC AMINOALKYLCARBOXAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-15 — — US disclosed
US-7718808-B2 Thiazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-05-18 — — US disclosed
WO-2009089502-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2009-07-16 — — WO disclosed
EP-2060563-A1 CYCLIC AMINOALKYLCARBOXAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-05-20 — — EP disclosed
US-20070299052-A1 Inhibitors of IAP GENENTECH, INC. (US) 2007-12-27 — — US disclosed
US-20070299052-A1 Inhibitors of IAP GENENTECH, INC. (US) 2007-12-27 — — US disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 — — US disclosed
US-20070105919-A1 adenosine A2A receptor antagonists; N-[4-(2-Furyl)-5-(4-pyridyl)thiazol-2-yl]pyridine-4-carboxamide; treatment of Parkinson's disease, Alzheimer's disease, progressive supranuclear palsy, AIDS encephalopathy, nerve system disorders KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-05-10 — — 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 (5 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-20130267509-A1 THIAZOLE DERIVATIVES THRA, CHD8, CYP2C8 NPC1 2251/4885SMN1; SMN2 891/4885RAB9A 1692/4885
US-20070299052-A1 Inhibitors of IAP XIAP, BIRC5, BIRC3 NPC1 2684/4885SMN1; SMN2 2479/4885RAB9A 1134/4885
US-20070105919-A1 adenosine A2A receptor antagonists; N-[4-(2-Furyl)-5-(4-pyridyl)thiazol-2-yl]pyridine-4-carboxamide; treatment of Parkinson's disease, Alzheimer's disease, progressive supranuclear palsy, AIDS encephalopathy, nerve system disorders ADORA2A, ADORA3, ADORA1 NPC1 1486/4885SMN1; SMN2 848/4885RAB9A 2185/4885
US-20100256115-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 NPC1 2684/4885SMN1; SMN2 2479/4885RAB9A 1134/4885
US-20100179118-A1 CYCLIC AMINOALKYLCARBOXAMIDE DERIVATIVE HRH2, HRH1, HRH4 NPC1 3115/4885SMN1; SMN2 4714/4885RAB9A 3049/4885

“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.