Sugi Predict

Sugi Predict / Compounds / SCHEMBL3544059

SCHEMBL3544059

SCHEMBL3544059

NC(=O)c1ccccc1-n1cccn1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ G6PD P11413 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HCRTR2 O43614 10/20 0.45
▸ HCRTR1 O43613 10/20 0.45
▸ ADRA1D P25100 1/20 0.42
▸ ELANE P08246 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.41

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
SCHEMBL1339393 0.84 ALDH1A1 (0.50) NPC1MAPK1KDM4EALDH1A1MAPT
SCHEMBL27765492 0.84 NPC1 (0.44) NPC1MAPK1KDM4EALDH1A1MAPT
SCHEMBL1787693 0.84 NPC1 (0.44) NPC1MAPK1KDM4EALDH1A1MAPT
SCHEMBL17742692 0.83 NPC1 (0.49) NPC1MAPK1KDM4EALDH1A1MAPT
SCHEMBL3786710 0.83 NPC1 (0.49) NPC1MAPK1KDM4EALDH1A1MAPT
SCHEMBL8174331 0.82 SIRT3 (0.47) NPC1MAPK1KDM4EALDH1A1MAPT
SCHEMBL30298688 0.82 CYP46A1 (0.46) NPC1MAPK1KDM4EALDH1A1MAPT
SCHEMBL17318608 0.81 NPC1 (0.42) NPC1MAPK1KDM4EALDH1A1MAPT
SCHEMBL22383443 0.80 NPC1 (0.46) NPC1MAPK1KDM4EALDH1A1MAPT
SCHEMBL11665769 0.80 ALDH1A1 (0.51) NPC1MAPK1KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2925322-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2015-10-07 — — EP claimed
WO-2014085210-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2014-06-05 — — WO claimed
EP-2651929-A1 NOVEL BENZOFURANE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-10-23 — — EP claimed
WO-2012080149-A1 NOVEL BENZOFURANE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 — — WO claimed
EP-2205576-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS AstraZeneca AB (SE) 2010-07-14 — — EP claimed
WO-2009047558-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2009-04-16 — — WO claimed
WO-2025059469-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS AS AKT INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 — — WO disclosed
US-20240307382-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2024-09-19 — — US disclosed
WO-2023081212-A1 METHODS OF USING ALK2 INHIBITORS KEROS THERAPEUTICS, INC. (US) 2023-05-11 — — WO disclosed
US-20220106281-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2022-04-07 — — US disclosed
US-11014908-B2 Chemical compounds PFIZER INC. (US) 2021-05-25 — — US disclosed
US-10913727-B2 Modulators of the integrated stress pathway ABBVIE INC. (US) 2021-02-09 — — US disclosed
US-20200172512-A1 Chemical Compounds PFIZER INC. (US) 2020-06-04 — — US disclosed
US-20040073025-A1 Thrombin inhibitors MERCK SHARP & DOHME CORP. 2004-04-15 — — US disclosed
EP-1359913-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 2003-11-12 — — EP disclosed
US-6610701-B2 For therapy and prophylaxis of blood coagulation and cardiovascular disorders MERCK & CO., INC. 2003-08-26 — — US disclosed
US-20020193398-A1 Thrombin inhibitors MERCK & CO., INC. 2002-12-19 — — US disclosed
WO-2002064140-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-08-22 — — WO disclosed
WO-2002064211-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-08-22 — — WO disclosed
WO-2002064559-A2 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-08-22 — — WO 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 (7 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-20200172512-A1 Chemical Compounds HBZ, HBB, HBS1L NPC1 2812/4885MAPK1 2425/4885KDM4E 2745/4885
US-10913727-B2 Modulators of the integrated stress pathway ATF4, ATF1, DDIT3 NPC1 1252/4885MAPK1 239/4885KDM4E 4646/4885
US-20240307382-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 NPC1 1252/4885MAPK1 239/4885KDM4E 4646/4885
US-20220106281-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 NPC1 1252/4885MAPK1 239/4885KDM4E 4646/4885
US-20020193398-A1 Thrombin inhibitors F2, F3, TFPI NPC1 3343/4885MAPK1 3643/4885KDM4E 3146/4885
US-11014908-B2 Chemical compounds HBZ, HBB, HBS1L NPC1 2812/4885MAPK1 2425/4885KDM4E 2745/4885
US-20040073025-A1 Thrombin inhibitors F2, F11, F10 NPC1 3416/4885MAPK1 1399/4885KDM4E 3151/4885

“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.