Sugi Predict

Sugi Predict / Compounds / SCHEMBL1244747

SCHEMBL1244747

SCHEMBL1244747

O=Cc1cscc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 4/20 0.50
▸ CYP2B6 P20813 2/20 0.50
▸ PTGS2 P35354 2/20 0.46
▸ KMT2A Q03164 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ THRB P10828 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ RAB9A P51151 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.36
▸ ESR1 P03372 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ TRIM24 O15164 1/20 0.35
▸ TRIM33 Q9UPN9 1/20 0.35
▸ CYP2E1 P05181 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ ERN1 O75460 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
SCHEMBL3718425 0.80 PTGS2 (0.50) PTGS2KMT2ALMNAMEN1RAB9A
SCHEMBL2745162 0.77 CYP2A6 (0.68) CYP2A6CYP2B6PTGS2ALDH1A1ESR1
SCHEMBL5860974 0.76 KIF11 (0.41) ESR1ESR2BACE1
SCHEMBL16048725 0.76 MAPT (0.40) PTGS2KMT2ALMNAMEN1TDP1
SCHEMBL96494 0.73 LMNA (0.57) CYP2A6KMT2ALMNAMEN1THRB
Benzene SCHEMBL27923728 0.73 LMNA (0.57) CYP2A6KMT2ALMNAMEN1THRB
SCHEMBL31717974 0.73 KMT2A (0.50) CYP2A6PTGS2KMT2ALMNAMEN1
SCHEMBL18002113 0.72 KIF11 (0.38) PTGS2LMNABLMRAB9ANPC1
SCHEMBL224642 0.71 XDH (0.51) CYP2A6PTGS2KMT2ALMNAMEN1
SCHEMBL30721661 0.71 LMNA (0.55) CYP2A6KMT2ALMNAMEN1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11667630-B2 Nitrogen-containing 6-membered cyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2023-06-06 — — US disclosed
US-11667630-B2 Nitrogen-containing 6-membered cyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2023-06-06 — — US disclosed
US-11667630-B2 Nitrogen-containing 6-membered cyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2023-06-06 — — US disclosed
CN-111511736-B Nitrogen-containing 6-membered ring compound 旭化成制药株式会社 2023-03-24 — — CN disclosed
EP-3733665-B1 2-OXO-1,3,4-THIADIAZINAN-3-YL MOIETY CONTAINING COMPOUNDS WITH EP4 RECEPTOR AGONIST ACTIVITY ASAHI KASEI PHARMA CORP (JP) 2022-09-28 — — EP disclosed
US-20210188837-A1 NITROGEN-CONTAINING 6-MEMBERED CYCLIC COMPOUND ASAHI KASEI PHARMA CORPORATION (JP) 2021-06-24 — — US disclosed
US-20210188837-A1 NITROGEN-CONTAINING 6-MEMBERED CYCLIC COMPOUND ASAHI KASEI PHARMA CORPORATION (JP) 2021-06-24 — — US disclosed
US-10988468-B2 Nitrogen-containing 6-membered cyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2021-04-27 — — US disclosed
US-10988468-B2 Nitrogen-containing 6-membered cyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2021-04-27 — — US disclosed
US-20200347046-A1 NITROGEN-CONTAINING 6-MEMBERED CYCLIC COMPOUND ASAHI KASEI PHARMA CORPORATION (JP) 2020-11-05 — — US disclosed
CN-101511832-A Fused heterocyclic inhibitors of D-amino acid oxidase SEPRACOR INC (US) 2009-08-19 — — CN disclosed
EP-2057162-A2 FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE Sepracor Inc. (US) 2009-05-13 — — EP disclosed
US-20080058395-A1 Fused heterocyclic inhibitors of D-amino acid oxidase SEPRACOR INC. (US) 2008-03-06 — — US disclosed
US-20080058395-A1 Fused heterocyclic inhibitors of D-amino acid oxidase SEPRACOR INC. (US) 2008-03-06 — — US disclosed
US-20080058395-A1 Fused heterocyclic inhibitors of D-amino acid oxidase SEPRACOR INC. (US) 2008-03-06 — — US disclosed
WO-2008005456-A2 FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2008-01-10 — — WO disclosed
WO-2008005456-A2 FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2008-01-10 — — WO disclosed
US-20080004327-A1 FLUORO-SUBSTITUTED INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2008-01-03 — — US disclosed
US-20080004327-A1 FLUORO-SUBSTITUTED INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2008-01-03 — — US disclosed
US-20080004327-A1 FLUORO-SUBSTITUTED INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2008-01-03 — — 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 (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-20210188837-A1 NITROGEN-CONTAINING 6-MEMBERED CYCLIC COMPOUND PTGER4, EPB41, BMP4 CYP2A6 1932/4885CYP2B6 2366/4885PTGS2 72/4885
US-20080058395-A1 Fused heterocyclic inhibitors of D-amino acid oxidase DAO, DDO, AOX1 CYP2A6 937/4885CYP2B6 514/4885PTGS2 1551/4885
US-10988468-B2 Nitrogen-containing 6-membered cyclic compound PTGER4, EPB41, BMP4 CYP2A6 1932/4885CYP2B6 2366/4885PTGS2 72/4885
US-11667630-B2 Nitrogen-containing 6-membered cyclic compound PTGER4, EPB41, BMP4 CYP2A6 1932/4885CYP2B6 2366/4885PTGS2 72/4885
US-20200347046-A1 NITROGEN-CONTAINING 6-MEMBERED CYCLIC COMPOUND PTGER4, EPB41, BMP4 CYP2A6 1932/4885CYP2B6 2366/4885PTGS2 72/4885
US-20080004327-A1 FLUORO-SUBSTITUTED INHIBITORS OF D-AMINO ACID OXIDASE DAO, DDO, AOX1 CYP2A6 588/4885CYP2B6 355/4885PTGS2 2324/4885

“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.