Sugi Predict

Sugi Predict / Compounds / SCHEMBL358787

SCHEMBL358787

SCHEMBL358787

COc1cc(C(=O)N(C)C)ccc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.50
▸ HTT P42858 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ CYP3A4 P08684 3/20 0.48
▸ TSHR P16473 3/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ CYP1A2 P05177 2/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ HSP90AB1 P08238 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ TUBB4A P04350 1/20 0.46
▸ TUBB P07437 1/20 0.46
▸ TUBA3C P0DPH7 1/20 0.46
▸ TUBA1B P68363 1/20 0.46
▸ TUBA4A P68366 1/20 0.46
▸ TUBB4B P68371 1/20 0.46
▸ TUBB3 Q13509 1/20 0.46
▸ TUBB2A Q13885 1/20 0.46

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
SCHEMBL11702564 0.86 ALDH1A1 (0.69) ALDH1A1HTTLMNAL3MBTL1CYP3A4
SCHEMBL15652837 0.84 CYP1A2 (0.52) ALDH1A1HTTLMNAL3MBTL1CYP3A4
SCHEMBL15651002 0.84 ALDH1A1 (0.45) ALDH1A1HTTLMNAL3MBTL1CYP3A4
SCHEMBL13175775 0.84 ALDH1A1 (0.45) ALDH1A1HTTLMNAL3MBTL1CYP3A4
SCHEMBL6409033 0.84 CYP2C9 (0.66) ALDH1A1LMNACYP3A4TSHRHSD17B10
SCHEMBL15651703 0.82 HSP90AA1 (0.70) ALDH1A1HTTLMNAL3MBTL1CYP3A4
SCHEMBL436813 0.82 ALDH1A1 (0.72) ALDH1A1HTTLMNAL3MBTL1CYP3A4
SCHEMBL12526835 0.81 SLC6A2 (0.51) ALDH1A1HPGDSMN1; SMN2F2F10
SCHEMBL1545307 0.81 CYP1A2 (0.69) ALDH1A1HTTHSD17B10CYP1A2HSP90AA1
SCHEMBL17151146 0.81 CYP1A2 (0.47) ALDH1A1HTTLMNACYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2854800-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2018-03-28 — — EP claimed
EP-2854800-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. Hoffmann-La Roche AG (CH) 2015-04-08 — — EP claimed
WO-2013178570-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2013-12-05 — — WO claimed
US-20130324531-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN-LA ROCHE INC. (US) 2013-12-05 — — US claimed
EP-4676602-A1 COMPOUNDS TARGETING MUTATIONS IN P53 AND USES THEREOF Merck Sharp & Dohme LLC (US) 2026-01-14 — — EP disclosed
EP-4605392-A1 METHODS FOR TREATING CANCER Antares Therapeutics, Inc. (US) 2025-08-27 — — EP disclosed
WO-2024187153-A1 COMPOUNDS TARGETING MUTATIONS IN P53 AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2024-09-12 — — WO disclosed
WO-2024086809-A1 METHODS FOR TREATING CANCER SCORPION THERAPEUTICS, INC. (US) 2024-04-25 — — WO disclosed
US-11897877-B2 Inhibitor compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-02-13 — — US disclosed
US-20220402912-A1 INHIBITOR COMPOUNDS INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2022-12-22 — — US disclosed
US-20220402912-A1 INHIBITOR COMPOUNDS INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2022-12-22 — — US disclosed
US-11046688-B2 Inhibitor compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-06-29 — — US disclosed
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS ARORA NIDHI (US) 2012-01-19 — — US disclosed
US-20110046121-A1 INHIBITORS OF FOCAL ADHESION KINASE THE SCRIPPS RESEARCH INSTITUTE (US) 2011-02-24 — — US disclosed
US-20110046121-A1 INHIBITORS OF FOCAL ADHESION KINASE THE SCRIPPS RESEARCH INSTITUTE (US) 2011-02-24 — — US disclosed
EP-1983987-B1 DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2010-09-01 — — EP disclosed
WO-2009153197-A1 HALO-SUBSTITUTED PYRIMIDODIAZEPINES AS PLKL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 — — WO disclosed
WO-2008115369-A2 INHIBITORS OF FOCAL ADHESION KINASE THE SCRIPPS RESEARCH INSTITUTE (US) 2008-09-25 — — WO disclosed
WO-2007095188-A2 DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-23 — — WO disclosed
US-4031073-A Monoazo pigments containing barbituric acid or thio- or imino-derivatives thereof CIBA-GEIGY CORPORATION (US) 1977-06-21 — — 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-20110046121-A1 INHIBITORS OF FOCAL ADHESION KINASE PTK2, CABLES1, TNK2 ALDH1A1 1557/4885HTT 4542/4885LMNA 2437/4885
US-20220402912-A1 INHIBITOR COMPOUNDS BUB1B, BUB1, CDK1 ALDH1A1 3742/4885HTT 2840/4885LMNA 1306/4885
US-11046688-B2 Inhibitor compounds BUB1B, BUB1, CDK1 ALDH1A1 3742/4885HTT 2840/4885LMNA 1306/4885
US-20130324531-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES CCNY, ARG2, PYCR1 ALDH1A1 1433/4885HTT 3912/4885LMNA 2221/4885
US-11897877-B2 Inhibitor compounds BUB1B, BUB1, CDK1 ALDH1A1 3742/4885HTT 2840/4885LMNA 1306/4885
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 ALDH1A1 2519/4885HTT 3990/4885LMNA 2020/4885

“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.