SCHEMBL5221046

SCHEMBL5221046

Cc1ccccc1C(=O)NCCO

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
RAB9A P51151 3/20 0.62
NPC1 O15118 2/20 0.62
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
MAPK1 P28482 1/20 0.55
ALDH1A1 P00352 3/20 0.54
MAPT P10636 3/20 0.54
KDM4E B2RXH2 2/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
HTT P42858 3/20 0.54
TSHR P16473 1/20 0.53

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
SCHEMBL13162414 0.89 HPGD (0.69) HPGDSMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL8894839 0.86 ALDH1A1 (0.62) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL8980587 0.86 ALDH1A1 (0.55) HPGDSMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL31686014 0.85 HPGD (0.64) HPGDSMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL11230535 0.85 HPGD (0.64) HPGDSMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL461599 0.85 HPGD (0.64) HPGDSMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL9492896 0.85 HPGD (0.77) HPGDSMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL10604035 0.85 HPGD (0.66) HPGDSMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL13162943 0.84 NPC1 (0.59) HPGDSMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL13162698 0.84 HPGD (0.62) HPGDSMN1; SMN2RAB9ANPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12441686-B2 Heterocyclic g-protein-coupled receptor 52 (GPR52) agonists BOARD OF REGENTS, THE UNIVERISTY OF TEXAS SYSTEM (US) 2025-10-14 US disclosed
US-20240059655-A1 HETEROCYCLIC G-PROTEIN-COUPLED RECEPTOR 52 (GPR52) AGONISTS UNIV TEXAS (US) 2024-02-22 US disclosed
EP-3210609-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2017-08-30 EP disclosed
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 US disclosed
US-9273077-B2 Phosphorus derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2016-03-01 US disclosed
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2015-08-13 US disclosed
US-9012462-B2 Phosphorous derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2015-04-21 US disclosed
US-8912330-B2 Azaindole derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-12-16 US disclosed
US-20140364423-A1 Pyrazinopyrazines and Derivatives as Kinase Inhibitors ARIAD PHARMACEUTICALS, INC. 2014-12-11 US disclosed
US-8846664-B2 Pyrazinopyrazines and derivatives as kinase inhibitors ARIAD PHARMACEUTICALS, INC. (US) 2014-09-30 US disclosed
US-20050250707-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis CANAN KOCH STACIE S 2005-11-10 US disclosed
US-6953858-B2 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis AGOURON PHARMACEUTICALS, INC. (US) 2005-10-11 US disclosed
US-20040171842-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses, material for their synthesis PFIZER INC 2004-09-02 US disclosed
EP-1448539-A1 HIV PROTEASE INHIBITORS, COMPOSITIONS CONTAINING THE SAME, THEIR PHARMACEUTICAL USES AND MATERIALS FOR THEIR SYNTHESIS Agouron Pharmaceuticals , Inc. (US) 2004-08-25 EP disclosed
WO-2002100845-A1 HV PROTEASE INHIBITORS, COMPOSITIONS CONTAINING THE SAME, THEIR PHARMACEUTICAL USES AND MATERIALS FOR THEIR SYNTHESIS AGOURON PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
EP-0695184-B1 HIV PROTEASE INHIBITORS AGOURON PHARMA (US) 1999-04-21 EP disclosed
US-5863950-A AMIDES OR THIO AMIDE COMPOUNDS WITH HYDROXY OR ETHER GROUPS AGOURON PHARMACEUTICALS, INC. (US) 1999-01-26 US disclosed
EP-0695184-A4 HIV PROTEASE INHIBITORS AGOURON PHARMA (US) 1996-05-22 EP disclosed
EP-0695184-A1 HIV PROTEASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1996-02-07 EP disclosed
WO-1994015608-A1 HIV PROTEASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1994-07-21 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-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 HPGD 3394/4885SMN1; SMN2 4512/4885RAB9A 1513/4885
US-20150225436-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 HPGD 3242/4885SMN1; SMN2 4628/4885RAB9A 1490/4885
US-20140364423-A1 Pyrazinopyrazines and Derivatives as Kinase Inhibitors MAP3K5, MAP3K15, MAP4K2 HPGD 1908/4885SMN1; SMN2 4775/4885RAB9A 2309/4885
US-12441686-B2 Heterocyclic g-protein-coupled receptor 52 (GPR52) agonists GPR52, GPR68, GPR65 HPGD 979/4885SMN1; SMN2 2962/4885RAB9A 2341/4885
US-20040171842-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses, material for their synthesis SERPINB1, PEPD, PREP HPGD 394/4885SMN1; SMN2 3736/4885RAB9A 2120/4885
US-20240059655-A1 HETEROCYCLIC G-PROTEIN-COUPLED RECEPTOR 52 (GPR52) AGONISTS GPR52, GPR68, GPR65 HPGD 979/4885SMN1; SMN2 2962/4885RAB9A 2341/4885
US-20050250707-A1 HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis SERPINB1, PEPD, PREP HPGD 341/4885SMN1; SMN2 3932/4885RAB9A 2023/4885

“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.