Sugi Predict

Sugi Predict / Compounds / SCHEMBL3786889

SCHEMBL3786889

SCHEMBL3786889

Nc1cccc(Cl)c1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 7/20 0.48
▸ ALDH1A1 P00352 4/20 0.46
▸ NR4A2 P43354 2/20 0.46
▸ NOTUM Q6P988 3/20 0.42
▸ CYP3A4 P08684 6/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ MAPK1 P28482 1/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ CYP2A6 P11509 1/20 0.35
▸ KEAP1 Q14145 1/20 0.34
▸ GAA P10253 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL30233483 1.00 TSHR (0.48) TSHRALDH1A1NR4A2NOTUMCYP3A4
Hydrochloric Acid SCHEMBL4725830 0.98 TSHR (0.46) TSHRALDH1A1NR4A2NOTUMCYP3A4
SCHEMBL5794355 0.83 TSHR (0.43) TSHRALDH1A1NR4A2CYP3A4PIK3CA
SCHEMBL8722602 0.83 NOTUM (0.50) TSHRALDH1A1NOTUMCYP1A2CYP2C19
SCHEMBL7753488 0.78 ALDH1A1 (0.48) TSHRALDH1A1NR4A2CYP3A4PIK3CA
SCHEMBL11711813 0.78 NR4A2 (0.53) TSHRALDH1A1NR4A2NOTUMCYP3A4
SCHEMBL3787591 0.77 ALDH1A1 (0.52) TSHRALDH1A1NR4A2CYP3A4PIK3CA
SCHEMBL2202986 0.76 ALDH1A1 (0.43) TSHRALDH1A1CYP3A4PIK3CAMAPK1
SCHEMBL936662 0.74 NOTUM (0.43) TSHRALDH1A1NOTUMCYP1A2CYP2A6
SCHEMBL22969778 0.74 NOTUM (0.43) TSHRALDH1A1NOTUMCYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4380921-B1 D3 DOPAMINE RECEPTOR-SELECTIVE NEGATIVE ALLOSTERIC MODULATORS US HEALTH (US) 2026-01-28 — — EP disclosed
US-20240336604-A1 D3 DOPAMINE RECEPTOR-SELECTIVE NEGATIVE ALLOSTERIC MODULATORS US HEALTH (US) 2024-10-10 — — US disclosed
US-12071404-B2 Aza (indole)-, benzothiophene-, and benzofuran-3-sulfonamides UCB PHARMA GMBH (DE) 2024-08-27 — — US disclosed
EP-4380921-A1 D3 DOPAMINE RECEPTOR-SELECTIVE NEGATIVE ALLOSTERIC MODULATORS The United States of America, as represented by The Secretary, Department of Health and Human Services (US) 2024-06-12 — — EP disclosed
US-11820746-B2 Aza (indole)-, benzothiophene-, and benzofuran-3-sulfonamides UCB PHARMA GMBH (DE) 2023-11-21 — — US disclosed
US-11820746-B2 Aza (indole)-, benzothiophene-, and benzofuran-3-sulfonamides UCB PHARMA GMBH (DE) 2023-11-21 — — US disclosed
US-11820746-B2 Aza (indole)-, benzothiophene-, and benzofuran-3-sulfonamides UCB PHARMA GMBH (DE) 2023-11-21 — — US disclosed
US-20230348384-A1 Aza (Indole)-, Benzothiophene-, And Benzofuran-3-Sulfonamides UCB PHARMA GMBH (DE) 2023-11-02 — — US disclosed
US-20230348384-A1 Aza (Indole)-, Benzothiophene-, And Benzofuran-3-Sulfonamides UCB PHARMA GMBH (DE) 2023-11-02 — — US disclosed
US-20230348384-A1 Aza (Indole)-, Benzothiophene-, And Benzofuran-3-Sulfonamides UCB PHARMA GMBH (DE) 2023-11-02 — — US disclosed
WO-2008084324-A1 NAPHTHYRIDINONE COMPOUND PFIZER PRODUCTS INC. (US) 2008-07-17 — — WO disclosed
WO-2008084324-A1 NAPHTHYRIDINONE COMPOUND PFIZER PRODUCTS INC. (US) 2008-07-17 — — WO disclosed
US-20080167319-A1 7-(4-(4-[3-CHLORO-2-(TRIFLUOROMETHYL)PHENYL]PIPERAZIN-1-YL)BUTOXY)-[1,8]-NAPHTHYRIDIN-2(1H)-ONE PFIZER INC. 2008-07-10 — — US disclosed
US-20080167319-A1 7-(4-(4-[3-CHLORO-2-(TRIFLUOROMETHYL)PHENYL]PIPERAZIN-1-YL)BUTOXY)-[1,8]-NAPHTHYRIDIN-2(1H)-ONE PFIZER INC. 2008-07-10 — — US disclosed
US-20080167319-A1 7-(4-(4-[3-CHLORO-2-(TRIFLUOROMETHYL)PHENYL]PIPERAZIN-1-YL)BUTOXY)-[1,8]-NAPHTHYRIDIN-2(1H)-ONE PFIZER INC. 2008-07-10 — — US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 — — EP disclosed
WO-2008020306-A2 ISOINDOLE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-02-21 — — WO disclosed
US-5304554-A Intercalators of DNA, inhibit replication of retroviruses EMORY UNIVERSITY (US) 1994-04-19 — — US disclosed
US-4731450-A Process for perfluoroalkylation of aromatic derivatives RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1988-03-15 — — US disclosed
EP-0133270-A1 Reactive dyes BASF Aktiengesellschaft (DE) 1985-02-20 — — 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-11820746-B2 Aza (indole)-, benzothiophene-, and benzofuran-3-sulfonamides GPR17, GPR18, GPR27 TSHR 2860/4885ALDH1A1 1065/4885NR4A2 96/4885
US-20230348384-A1 Aza (Indole)-, Benzothiophene-, And Benzofuran-3-Sulfonamides GPR17, GPR18, GPR27 TSHR 2860/4885ALDH1A1 1065/4885NR4A2 96/4885
US-20240336604-A1 D3 DOPAMINE RECEPTOR-SELECTIVE NEGATIVE ALLOSTERIC MODULATORS OPRD1, DRD3, OPRK1 TSHR 114/4885ALDH1A1 2136/4885NR4A2 531/4885
US-12071404-B2 Aza (indole)-, benzothiophene-, and benzofuran-3-sulfonamides GPR17, GPR18, GPR27 TSHR 2860/4885ALDH1A1 1065/4885NR4A2 96/4885
US-20080167319-A1 7-(4-(4-[3-CHLORO-2-(TRIFLUOROMETHYL)PHENYL]PIPERAZIN-1-YL)BUTOXY)-[1,8]-NAPHTHYRIDIN-2(1H)-ONE BDNF, SCN7A, GRIN2C TSHR 1599/4885ALDH1A1 290/4885NR4A2 773/4885

“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.