Sugi Predict

Sugi Predict / Compounds / SCHEMBL670230

SCHEMBL670230

SCHEMBL670230

CCc1cc(C=O)ccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.59
▸ ALDH1A3 P47895 6/20 0.50
▸ ALDH3A1 P30838 4/20 0.50
▸ VCAM1 P19320 1/20 0.47
▸ CYP1A2 P05177 1/20 0.45
▸ PTGER4 P35408 1/20 0.44
▸ HSD17B10 Q99714 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.40
▸ TACR2 P21452 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ TYR P14679 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38

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
Ethane SCHEMBL2154475 0.98 ALDH1A1 (0.57) ALDH1A1ALDH1A3ALDH3A1VCAM1CYP1A2
SCHEMBL25688492 0.86 ALDH1A1 (0.53) ALDH1A1ALDH1A3ALDH3A1VCAM1CYP1A2
SCHEMBL2154719 0.85 ALDH1A1 (0.44) ALDH1A1ALDH1A3ALDH3A1VCAM1CYP1A2
SCHEMBL6015146 0.83 ALDH1A1 (0.59) ALDH1A1ALDH1A3ALDH3A1VCAM1CYP1A2
SCHEMBL25371194 0.82 ALDH1A1 (0.57) ALDH1A1ALDH1A3ALDH3A1VCAM1CYP1A2
SCHEMBL16954401 0.82 L3MBTL1 (0.41) ALDH1A1ALDH1A3ALDH3A1CYP1A2L3MBTL1
SCHEMBL14143605 0.82 ALDH1A1 (0.57) ALDH1A1ALDH1A3ALDH3A1VCAM1CYP1A2
SCHEMBL606640 0.80 ALDH1A1 (0.45) ALDH1A1ALDH1A3ALDH3A1PTGER4HSD17B10
SCHEMBL1245777 0.79 ALDH1A1 (0.53) ALDH1A1ALDH1A3ALDH3A1VCAM1CYP1A2
SCHEMBL27509313 0.79 ALDH1A1 (0.53) ALDH1A1ALDH1A3ALDH3A1VCAM1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3936192-B1 PYRROLOPYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2025-04-09 — — EP disclosed
US-12240855-B2 Pyrrolopyrazole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2025-03-04 — — US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
US-20220185815-A1 PYRROLOPYRAZOLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-06-16 — — US disclosed
US-20220185815-A1 PYRROLOPYRAZOLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-06-16 — — US disclosed
EP-3936192-A1 PYRROLOPYRAZOLE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2022-01-12 — — EP disclosed
CN-113543852-A Pyrrolopyrazole derivatives 第一三共株式会社 2021-10-22 — — CN disclosed
US-20180179187-A1 Nrf2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2018-06-28 — — US disclosed
EP-2744788-B1 BENZOPIPERAZINE DERIVATIVES AS CETP INHIBITORS MERCK SHARP & DOHME (US) 2016-10-19 — — EP disclosed
EP-2605658-B1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME (US) 2016-03-23 — — EP disclosed
WO-2013028382-A1 BENZOPIPERAZINE DERIVATIVES AS CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-02-28 — — WO disclosed
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP 2013-02-14 — — US disclosed
EP-1984322-B1 BENZAMIDE AND HETEROARENE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-09-26 — — EP disclosed
WO-2012024183-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2012-02-23 — — WO disclosed
WO-2011146324-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-11-24 — — WO disclosed
US-7745477-B2 Heteroaryl and benzyl amide compounds HOFFMAN-LA ROCHE INC. (US) 2010-06-29 — — US disclosed
CN-101379022-A Benzamide and heteroarene derivatives HOFFMANN LA ROCHE (CH) 2009-03-04 — — CN disclosed
EP-1984322-A1 BENZAMIDE AND HETEROARENE DERIVATIVES F. Hoffmann-la Roche AG (CH) 2008-10-29 — — EP disclosed
WO-2007090748-A1 BENZAMIDE AND HETEROARENE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 — — WO disclosed
US-20070185058-A1 Heteroaryl and benzyl amide compounds HOFFMANN-LA ROCHE INC. 2007-08-09 — — 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 (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-20180179187-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 ALDH1A1 609/4885ALDH1A3 791/4885ALDH3A1 1013/4885
US-20070185058-A1 Heteroaryl and benzyl amide compounds CYP1B1, CYP4B1, ABCG2 ALDH1A1 986/4885ALDH1A3 2920/4885ALDH3A1 741/4885
US-20220185815-A1 PYRROLOPYRAZOLE DERIVATIVE PTDSS1, PTDSS2, SMPD1 ALDH1A1 2761/4885ALDH1A3 3716/4885ALDH3A1 2618/4885
US-12240855-B2 Pyrrolopyrazole derivative PTDSS1, PTDSS2, SMPD1 ALDH1A1 2761/4885ALDH1A3 3716/4885ALDH3A1 2618/4885
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS SSTR5, SSTR2, SSTR1 ALDH1A1 1103/4885ALDH1A3 1890/4885ALDH3A1 842/4885

“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.