Sugi Predict

Sugi Predict / Compounds / SCHEMBL889001

SCHEMBL889001

SCHEMBL889001

Cc1nc2cc(CO)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.43
▸ HSP90AA1 P07900 1/20 0.42
▸ ESR2 Q92731 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ DHODH Q02127 2/20 0.41
▸ MAOA P21397 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ POLB P06746 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ FGFR2 P21802 1/20 0.40
▸ FGFR3 P22607 1/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
Hydrochloric Acid SCHEMBL11366200 0.98 HSD17B10 (0.46) HSD17B10ALDH1A1HSP90AA1ESR2TDP1
SCHEMBL12633792 0.90 ALDH1A1 (0.40) HSD17B10ALDH1A1HSP90AA1ESR2TDP1
SCHEMBL889020 0.86 ALDH1A1 (0.41) HSD17B10ALDH1A1HSP90AA1ESR2TDP1
SCHEMBL4226862 0.86 ALDH1A1 (0.56) HSD17B10ALDH1A1HSP90AA1ESR2TDP1
SCHEMBL12213873 0.85 ALDH1A1 (0.46) HSD17B10ALDH1A1HSP90AA1ESR2TDP1
SCHEMBL3265753 0.84 ALDH1A1 (0.44) HSD17B10ALDH1A1HSP90AA1ESR2TDP1
SCHEMBL8910012 0.83 PDE3B (0.47) HSD17B10ALDH1A1HSP90AA1ESR2TDP1
SCHEMBL889019 0.82 GAA (0.43) HSD17B10ALDH1A1HSP90AA1ESR2TDP1
SCHEMBL889039 0.82 ALDH1A1 (0.43) HSD17B10ALDH1A1HSP90AA1ESR2TDP1
SCHEMBL889012 0.82 ALDH1A1 (0.43) HSD17B10ALDH1A1HSP90AA1ESR2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 — — WO disclosed
US-20210115040-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-04-22 — — US disclosed
WO-2019243528-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 — — WO disclosed
US-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 — — US disclosed
US-9809545-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2017-11-07 — — US disclosed
US-9765087-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-09-19 — — US disclosed
US-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARM INC (US) 2017-04-27 — — US disclosed
US-20160046581-A1 Factor XIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2016-02-18 — — US disclosed
US-8927709-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-01-06 — — US disclosed
US-20140341851-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-11-20 — — US disclosed
US-6610692-B1 Anticoagulants MERCK & CO., INC. 2003-08-26 — — US disclosed
US-6610701-B2 For therapy and prophylaxis of blood coagulation and cardiovascular disorders MERCK & CO., INC. 2003-08-26 — — US disclosed
EP-1300398-A1 PROPANE-1,3-DIONE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-04-09 — — EP disclosed
US-20020193398-A1 Thrombin inhibitors MERCK & CO., INC. 2002-12-19 — — US disclosed
WO-2002064211-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-08-22 — — WO disclosed
EP-1124822-A4 THROMBIN INHIBITORS MERCK & CO INC (US) 2002-04-03 — — EP disclosed
EP-1124822-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 2001-08-22 — — EP disclosed
WO-2000026211-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2000-05-11 — — WO disclosed
US-RE33948-E Bactericides, animal growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1992-06-02 — — US disclosed
US-4748163-A Novel β-lactam antibiotics BAYER AKTIENGESELLSCHAFT (DE) 1988-05-31 — — 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-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 HSD17B10 906/4885ALDH1A1 201/4885HSP90AA1 2007/4885
US-20160046581-A1 Factor XIa Inhibitors F11, F12, TFPI HSD17B10 1681/4885ALDH1A1 2920/4885HSP90AA1 3466/4885
US-20210115040-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN HSD17B10 2463/4885ALDH1A1 3839/4885HSP90AA1 3457/4885
US-10017499-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L HSD17B10 1025/4885ALDH1A1 132/4885HSP90AA1 1928/4885
US-20020193398-A1 Thrombin inhibitors F2, F3, TFPI HSD17B10 1474/4885ALDH1A1 3527/4885HSP90AA1 3862/4885
US-20140341851-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 HSD17B10 906/4885ALDH1A1 201/4885HSP90AA1 2007/4885

“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.