Sugi Predict

Sugi Predict / Compounds / SCHEMBL2556889

SCHEMBL2556889

SCHEMBL2556889

Cc1ccc(-c2ccno2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.65
▸ NPC1 O15118 5/20 0.65
▸ NOTUM Q6P988 1/20 0.63
▸ CYP1A2 P05177 2/20 0.53
▸ CYP19A1 P11511 2/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ LMNA P02545 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ CASP3 P42574 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ SENP6 Q9GZR1 1/20 0.43
▸ TOP1 P11387 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ GAA P10253 2/20 0.42

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
Oxalic Acid SCHEMBL7443270 0.89 NPC1 (0.54) RAB9ANPC1NOTUMCYP1A2CYP19A1
SCHEMBL9768763 0.88 NOTUM (0.77) RAB9ANPC1NOTUMCYP1A2CYP19A1
SCHEMBL9679859 0.79 NOTUM (0.65) RAB9ANPC1NOTUMCYP1A2CYP19A1
SCHEMBL5306564 0.78 NOTUM (0.53) RAB9ANPC1NOTUMCYP1A2CYP19A1
SCHEMBL2307587 0.77 NOTUM (0.63) RAB9ANPC1NOTUMCYP1A2CYP19A1
SCHEMBL9189318 0.77 NOTUM (1.00) RAB9ANPC1NOTUMCYP1A2CYP19A1
SCHEMBL5544510 0.77 NOTUM (0.63) RAB9ANPC1NOTUMCYP1A2CYP19A1
SCHEMBL1351742 0.77 NOTUM (0.63) RAB9ANPC1NOTUMCYP1A2CYP19A1
SCHEMBL1187704 0.77 NOTUM (0.63) RAB9ANPC1NOTUMCYP1A2CYP19A1
SCHEMBL3991251 0.77 NOTUM (0.63) RAB9ANPC1NOTUMCYP1A2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180273906-A1 MICROVESICLE AND STEM CELL COMPOSITIONS FOR THERAPEUTIC APPLICATIONS IPS HEART 2018-09-27 — — US claimed
CN-113620875-B 3-nitrile quinoline derivative and preparation method thereof 郑州大学 2023-06-23 — — CN disclosed
CN-113620875-A 3-cyano quinoline derivative and preparation method thereof 郑州大学 2021-11-09 — — CN disclosed
US-10968249-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2021-04-06 — — US disclosed
US-20210054344-A1 CPC EXOSOMES MIRNA373 COMBINATION THERAPIES IPS HEART 2021-02-25 — — US disclosed
US-20200347092-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHARM INC (US) 2020-11-05 — — US disclosed
EP-3223822-B1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS ENANTA PHARM INC (US) 2020-07-01 — — EP disclosed
US-10696713-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-06-30 — — US disclosed
US-20180273906-A1 MICROVESICLE AND STEM CELL COMPOSITIONS FOR THERAPEUTIC APPLICATIONS IPS HEART 2018-09-27 — — US disclosed
WO-2017147159-A1 DEUTERATED BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2017-08-31 — — WO disclosed
EP-0753004-A1 ANTAGONISTS OF ENDOTHELIN RECEPTORS Japat Ltd (CH) 1997-01-15 — — EP disclosed
WO-1996033170-A1 N-AROYLAMINO ACID AMIDES AS ENDOTHELIN INHIBITORS NOVARITS AG (CH) 1996-10-24 — — WO disclosed
EP-0728145-A1 ENDOTHELIN RECEPTOR ANTAGONISTS Ciba-Geigy Japan Limited (JP) 1996-08-28 — — EP disclosed
WO-1995026360-A1 ANTAGONISTS OF ENDOTHELIN RECEPTORS JAPAT LTD. (CH) 1995-10-05 — — WO disclosed
EP-0486782-B1 Improved process for the synthesis of alpha-((dialkylamino)substituted-methylene)-beta-oxo-(substituted) propanenitriles AMERICAN CYANAMID CO (US) 1995-08-09 — — EP disclosed
EP-0665223-A1 Antitumor agent, novel 3(2H)-pyridazinone derivatives and their preparation TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-08-02 — — EP disclosed
WO-1995012611-A1 ENDOTHELIN RECEPTOR ANTAGONISTS JAPAT LTD. (CH) 1995-05-11 — — WO disclosed
EP-0486782-A1 Improved process for the synthesis of alpha-((dialkylamino)substituted-methylene)-beta-oxo-(substituted) propanenitriles AMERICAN CYANAMID COMPANY (US) 1992-05-27 — — EP disclosed
US-5103015-A 5-(substituted)isoxazole compounds AMERICAN CYANAMID COMPANY (US) 1992-04-07 — — US disclosed
US-5059709-A Reacting substituted isoxazole with dialkylamide dimethylacetal; anxiolytic agents AMERICAN CYANAMID COMPANY (US) 1991-10-22 — — 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-20180273906-A1 MICROVESICLE AND STEM CELL COMPOSITIONS FOR THERAPEUTIC APPLICATIONS EXOSC9, EXOSC5, EXOSC4 RAB9A 334/4885NPC1 1167/4885NOTUM 4592/4885
US-10696713-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof GPBAR1, NR1H4, SLC10A1 RAB9A 1748/4885NPC1 23/4885NOTUM 1072/4885
US-20210054344-A1 CPC EXOSOMES MIRNA373 COMBINATION THERAPIES EXOSC5, UTRN, EXOSC4 RAB9A 2257/4885NPC1 2053/4885NOTUM 4801/4885
US-20200347092-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF GPBAR1, NR1H4, SLC10A1 RAB9A 1748/4885NPC1 23/4885NOTUM 1072/4885
US-10968249-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof GPBAR1, NR1H4, SLC10A1 RAB9A 1748/4885NPC1 23/4885NOTUM 1072/4885

“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.