Sugi Predict

Sugi Predict / Compounds / SCHEMBL1177971

SCHEMBL1177971

SCHEMBL1177971

O=C(O)C(c1ccccc1)c1ccccn1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.68
▸ CYP1A2 P05177 2/20 0.68
▸ SLC6A3 Q01959 2/20 0.57
▸ SLC6A2 P23975 2/20 0.57
▸ SLC6A4 P31645 2/20 0.57
▸ GAA P10253 1/20 0.50
▸ KDM4E B2RXH2 5/20 0.49
▸ LMNA P02545 5/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ OPRK1 P41145 2/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ CYP3A4 P08684 3/20 0.46
▸ TSHR P16473 2/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ ADRB2 P07550 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.44
▸ MITF O75030 1/20 0.44
▸ ABCB11 O95342 1/20 0.44

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
SCHEMBL7719801 0.90 ALDH1A1 (0.59) ALDH1A1CYP1A2SLC6A3SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL28667861 0.88 ALDH1A1 (0.57) ALDH1A1CYP1A2SLC6A3SLC6A2SLC6A4
SCHEMBL17858363 0.88 S1PR1 (0.56) ALDH1A1CYP1A2SLC6A3SLC6A2SLC6A4
SCHEMBL639563 0.85 ALDH1A1 (0.64) ALDH1A1CYP1A2SLC6A3SLC6A2SLC6A4
SCHEMBL14060543 0.85 ALDH1A1 (0.69) ALDH1A1CYP1A2SLC6A3SLC6A2SLC6A4
SCHEMBL7759530 0.85 ALDH1A1 (0.64) ALDH1A1CYP1A2SLC6A3SLC6A2SLC6A4
SCHEMBL30473857 0.85 ALDH1A1 (0.54) ALDH1A1CYP1A2SLC6A3SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL4200885 0.84 ALDH1A1 (0.62) ALDH1A1CYP1A2SLC6A3SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL27529639 0.84 ALDH1A1 (0.62) ALDH1A1CYP1A2SLC6A3SLC6A2SLC6A4
SCHEMBL3767996 0.82 SLC6A3 (0.52) ALDH1A1CYP1A2SLC6A3SLC6A2SLC6A4

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1366018-B1 OMEGA-AMINOALKYLAMIDES OF (R)-2-ARYL-PROPIONIC ACIDS AS INHIBITORS OF THE CHEMOTAXIS OF POLYMORPHONUCLEATE AND MONONUCLEATE CELLS DOMPÉ FARMACEUTICI S P A (IT) 2016-07-06 — — EP disclosed
US-7883713-B2 Suspension, ointment, solution, spray, lotion, gel, cream, powder, powder spray, paste, emulsion, foam or stick; for treatment of herpes infections in humans AICURIS GMBH & CO. KG (DE) 2011-02-08 — — US disclosed
US-7105553-B2 Thiazolyl amide derivatives BAYER AKTIENGESELLSCHAFT (DE) 2006-09-12 — — US disclosed
CN-1235890-C Thizaolyl amide derivatives BAYER AG (DE) 2006-01-11 — — CN disclosed
US-20040235916-A1 Thiazolyl amides and their use as antiviral drugs SCHOHE-LOOP RUDOLF (DE) 2004-11-25 — — US disclosed
US-20040235917-A1 Topical application of thiazolyl amides AIC316 GMBH (DE) 2004-11-25 — — US disclosed
EP-1067894-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-09-08 — — EP disclosed
EP-1307204-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-02 — — EP disclosed
US-20040006076-A1 Thiazolyl amide derivatives AICURIS GMBH & CO. KG (DE) 2004-01-08 — — US disclosed
CN-1434812-A Thizaolyl amide derivatives BAYER AG (DE) 2003-08-06 — — CN disclosed
EP-1307204-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-05-07 — — EP disclosed
EP-1158986-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 — — EP disclosed
CN-1332726-A Pyrrolidine compounds and pharmaceutical use thereof YOSHITOMI PHARMACEUTICAL (JP) 2002-01-23 — — CN disclosed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 — — WO disclosed
EP-1158986-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-12-05 — — EP disclosed
EP-1067894-A2 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-01-17 — — EP disclosed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 — — WO disclosed
WO-1999059526-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-25 — — WO disclosed
US-3956344-A Process for the production of substituted 2-benzoylpyridines DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1976-05-11 — — 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 (3 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-20040235916-A1 Thiazolyl amides and their use as antiviral drugs EIF2AK2, MAVS, ZC3HAV1 ALDH1A1 952/4885CYP1A2 1162/4885SLC6A3 2604/4885
US-20040235917-A1 Topical application of thiazolyl amides TK1, TREH, SUCLG1 ALDH1A1 1181/4885CYP1A2 3540/4885SLC6A3 1876/4885
US-20040006076-A1 Thiazolyl amide derivatives MAVS, EIF2AK2, SARS1 ALDH1A1 3551/4885CYP1A2 3910/4885SLC6A3 3962/4885

“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.