Sugi Predict

Sugi Predict / Compounds / SCHEMBL255000

SCHEMBL255000

SCHEMBL255000

CN(C)C(=O)c1cccc(F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.61
▸ CES1 P23141 2/20 0.61
▸ PARP1 P09874 1/20 0.57
▸ OPRM1 P35372 1/20 0.54
▸ OPRL1 P41146 1/20 0.54
▸ HDAC1 Q13547 1/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ ERN1 O75460 2/20 0.50
▸ GRM1 Q13255 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ PLA2G7 Q13093 1/20 0.47
▸ CDK4 P11802 1/20 0.47
▸ CCND1 P24385 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ FYN P06241 1/20 0.45

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
SCHEMBL29482201 1.00 CES2 (0.61) CES2CES1PARP1OPRM1OPRL1
SCHEMBL12469445 0.89 ERN1 (0.59) CES2CES1PARP1OPRM1OPRL1
SCHEMBL7406706 0.85 MEN1 (0.55) ERN1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL30424341 0.85 PARP1 (0.58) CES2CES1PARP1OPRM1OPRL1
Hydrochloric Acid SCHEMBL25222262 0.83 PARP1 (0.56) CES2CES1PARP1OPRM1OPRL1
SCHEMBL13412201 0.82 CES2 (0.53) CES2CES1PARP1OPRM1OPRL1
SCHEMBL305837 0.82 CES2 (0.53) CES2CES1PARP1OPRM1OPRL1
SCHEMBL29729945 0.82 CES2 (0.53) CES2CES1PARP1OPRM1OPRL1
SCHEMBL7223254 0.82 GRM5 (0.53) CES2CES1PARP1OPRM1OPRL1
SCHEMBL12706704 0.80 TSHR (0.54) CES2CES1PARP1OPRM1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12208088-B2 Spirocyclic 2,3-dihydro-7-azaindole compounds and uses thereof GENENTECH, INC. (US) 2025-01-28 — — US claimed
EP-3535252-A1 COMPOSITION COMPRISING COMBINATION OF EPICATECHIN AND ANTI-CANCER COMPOUND Sphaera Pharma Pvt. Ltd. (IN) 2019-09-11 — — EP claimed
EP-2874632-A2 NOVEL TRIAZINE COMPOUNDS Sphaera Pharma Pte. Ltd (SG) 2015-05-27 — — EP claimed
WO-2014016849-A9 NOVEL TRIAZINE COMPOUNDS SPHAERA PHARMA PTE. LTD. (SG) 2014-03-13 — — WO claimed
WO-2014016849-A2 NOVEL TRIAZINE COMPOUNDS SPHAERA PHARMA PVT. LTD. (SG) 2014-01-30 — — WO claimed
US-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 — — US claimed
US-20250051309-A1 MK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME GILEAD SCIENCES, INC. 2025-02-13 — — US disclosed
US-12208088-B2 Spirocyclic 2,3-dihydro-7-azaindole compounds and uses thereof GENENTECH, INC. (US) 2025-01-28 — — US disclosed
CN-118894852-A Polysubstituted indazole compound and preparation method and application thereof 甫康（上海）健康科技有限责任公司 2024-11-05 — — CN disclosed
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2023-11-02 — — US disclosed
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2023-11-02 — — US disclosed
US-20220370420-A1 SPIROCYCLIC 2,3-DIHYDRO-7-AZAINDOLE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2022-11-24 — — US disclosed
CN-109415381-B Thiazolopyridine derivatives as GPR119 agonists 人类制药有限公司 2022-03-25 — — CN disclosed
WO-2012150952-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA TM, LLC (US) 2012-11-08 — — WO disclosed
WO-2012031197-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA THERAPEUTICS, INC. (US) 2012-03-08 — — WO disclosed
WO-2012031199-A1 GUANIDINE COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA THERAPEUTICS, INC. (US) 2012-03-08 — — WO disclosed
WO-2012031196-A1 4- { [ ( PYRIDIN- 3 - YL -METHYL) AMINOCARBONYL] AMINO} BENZENE - SULFONE DERIVATIVES AS NAMPT INHIBITORS FOR THERAPY OF DISEASES SUCH AS CANCER FORMA THERAPEUTICS, INC. (US) 2012-03-08 — — WO disclosed
US-20110118248-A1 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. 2011-05-19 — — US disclosed
US-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 — — US disclosed
EP-0000649-B1 5-SUBSTITUTED-1,2-DIHYDRO-3H-PYRROLO(1,2-A)PYRROLE-1-CARBONITRILES AND PROCESS FOR THEIR CONVERSION TO THE CORRESPONDING 1-CARBOXYLIC ACIDS SYNTEX (U.S.A.) INC. (US) 1981-03-25 — — 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 (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-12208088-B2 Spirocyclic 2,3-dihydro-7-azaindole compounds and uses thereof HIPK1, NEK1, HIPK2 CES2 3925/4885CES1 1733/4885PARP1 2280/4885
US-20220370420-A1 SPIROCYCLIC 2,3-DIHYDRO-7-AZAINDOLE COMPOUNDS AND USES THEREOF HIPK1, NEK1, HIPK2 CES2 3925/4885CES1 1733/4885PARP1 2280/4885
US-20250051309-A1 MK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME DUSP2, MKNK2, DUSP22 CES2 3504/4885CES1 3577/4885PARP1 1664/4885
US-20110118248-A1 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 CES2 467/4885CES1 471/4885PARP1 4515/4885
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 CES2 693/4885CES1 695/4885PARP1 405/4885

“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.