Sugi Predict

Sugi Predict / Compounds / SCHEMBL3733195

SCHEMBL3733195

SCHEMBL3733195

NC(=O)/C=C/c1ccccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ ATM Q13315 1/20 0.58
▸ HSP90AA1 P07900 2/20 0.57
▸ KDM4E B2RXH2 5/20 0.49
▸ MAPT P10636 4/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ CYP1B1 Q16678 1/20 0.49
▸ TUBB4A P04350 1/20 0.49
▸ TUBB P07437 1/20 0.49
▸ TUBA3C P0DPH7 1/20 0.49
▸ TUBA1B P68363 1/20 0.49
▸ TUBA4A P68366 1/20 0.49
▸ TUBB4B P68371 1/20 0.49
▸ TUBB3 Q13509 1/20 0.49
▸ TUBB2A Q13885 1/20 0.49
▸ TUBB8 Q3ZCM7 1/20 0.49

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
SCHEMBL1382336 1.00 NPC1 (0.58) NPC1RAB9AMEN1KMT2AATM
SCHEMBL30317323 0.83 NPC1 (0.62) NPC1RAB9AMEN1KMT2AATM
SCHEMBL11999774 0.83 NPC1 (0.62) NPC1RAB9AMEN1KMT2AATM
SCHEMBL176731 0.83 MEN1 (0.56) NPC1RAB9AMEN1KMT2AATM
SCHEMBL333837 0.82 NPC1 (0.60) NPC1RAB9AMEN1KMT2AATM
SCHEMBL6611670 0.82 NPC1 (0.60) NPC1RAB9AMEN1KMT2AATM
SCHEMBL333836 0.82 NPC1 (0.60) NPC1RAB9AMEN1KMT2AATM
SCHEMBL29779566 0.82 NPC1 (0.60) NPC1RAB9AMEN1KMT2AATM
Hydrochloric Acid SCHEMBL5200839 0.80 NPC1 (0.58) NPC1RAB9AMEN1KMT2AATM
SCHEMBL9944609 0.80 MEN1 (0.58) NPC1RAB9AMEN1KMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1217943-C New use and novel N-azabicyclo-amide derivatives ASTRAZENECA AB (SE) 2005-09-07 — — CN claimed
CN-1423651-A Novel use and novel N-azabicyclo-amide derivatives ASTRAZENECA AB (SE) 2003-06-11 — — CN claimed
EP-4006035-B1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER NEUPHARMA INC (US) 2023-11-22 — — EP disclosed
US-20230285372-A1 Pharmaceutical use of (E)-3-arylheterocyclylprop-2-enoic acid derivatives MEDCURIUS INC. (CN) 2023-09-14 — — US disclosed
US-20230285372-A1 Pharmaceutical use of (E)-3-arylheterocyclylprop-2-enoic acid derivatives MEDCURIUS INC. (CN) 2023-09-14 — — US disclosed
EP-4006035-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER Neupharma, Inc. (US) 2022-06-01 — — EP disclosed
WO-2021259143-A1 PHARMACEUTICAL USE OF (E)-3-ARYLHETEROCYCLYL PROP-2-ENOIC ACID DERIVATIVES 上海长车生物科技有限公司 2021-12-30 — — WO disclosed
WO-2018035061-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. (US) 2018-02-22 — — WO disclosed
US-8242275-B2 Bicyclic pyrazole compounds as antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2012-08-14 — — US disclosed
US-8232391-B2 Bicyclic pyrazole compounds as antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2012-07-31 — — US disclosed
US-20100280240-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS ALLISON BRETT D 2010-11-04 — — US disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 — — US disclosed
EP-1363925-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2003-11-26 — — EP disclosed
CN-1423651-A Novel use and novel N-azabicyclo-amide derivatives ASTRAZENECA AB (SE) 2003-06-11 — — CN disclosed
US-20030031715-A1 Pharmaceutical applications of hydrotropic agents, polymers thereof, and hydrogels thereof PURDUE RESEARCH FOUNDATION 2003-02-13 — — US disclosed
WO-2002050091-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2002-06-27 — — WO disclosed
WO-2002030466-A2 PHARMACEUTICAL APPLICATIONS OF HYDROTROPIC AGENTS, POLYMERS THEREOF, AND HYDROGELS THEREOF PURDUE RESEARCH FOUNDATION (US) 2002-04-18 — — WO disclosed
US-6291530-B1 Aryl-substituted acrylamides with Leukotriene B4 (LTB-4) receptor antagonist activity NOVARTIS AG (CH) 2001-09-18 — — US disclosed
EP-0942903-A1 ARYL-SUBSTITUTED ACRYLAMIDES WITH LEUKOTRIENE B4 (LTB-4) RECEPTOR ANTAGONIST ACTIVITY Novartis AG (CH) 1999-09-22 — — EP disclosed
WO-1998013347-A1 ARYL-SUBSTITUTED ACRYLAMIDES WITH LEUKOTRIENE B4 (LTB-4) RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 1998-04-02 — — 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 (4 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-20100280240-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS NOD2, BAK1, CASP3 NPC1 1528/4885RAB9A 1415/4885MEN1 4741/4885
US-20030031715-A1 Pharmaceutical applications of hydrotropic agents, polymers thereof, and hydrogels thereof HMGB2, HTT, ABCG2 NPC1 2518/4885RAB9A 3957/4885MEN1 2575/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 NPC1 86/4885RAB9A 1258/4885MEN1 2870/4885
US-20230285372-A1 Pharmaceutical use of (E)-3-arylheterocyclylprop-2-enoic acid derivatives NFE2L2, NFE2, TXNRD2 NPC1 1250/4885RAB9A 1227/4885MEN1 3321/4885

“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.