SCHEMBL19728680

SCHEMBL19728680

CC(C)C(=O)Nc1ccc(C(=O)O)cn1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 15/20 0.66
HCAR2 Q8TDS4 2/20 0.60
ALDH1A1 P00352 3/20 0.56
LMNA P02545 1/20 0.56
CYP2C19 P33261 1/20 0.52
HDAC1 Q13547 1/20 0.52
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.51

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
SCHEMBL25543874 0.87 ALDH1A1 (0.53) HCAR3HCAR2ALDH1A1LMNACYP2C19
SCHEMBL3466195 0.85 NNMT (0.63) HCAR3ALDH1A1LMNACYP2C19HDAC1
SCHEMBL19728674 0.84 ALDH1A1 (0.56) HCAR3ALDH1A1LMNACYP2C19HDAC1
SCHEMBL10932724 0.83 HCAR3 (0.57) HCAR3HCAR2HDAC1
SCHEMBL9772954 0.81 ALDH1A1 (0.51) HCAR3HCAR2ALDH1A1LMNACYP2C19
SCHEMBL4896861 0.81 ALDH1A1 (0.51) HCAR3HCAR2ALDH1A1LMNACYP2C19
SCHEMBL82675 0.81 HCAR3 (0.68) HCAR3HCAR2
SCHEMBL1586330 0.81 HCAR3 (0.67) HCAR3HCAR2
SCHEMBL9891790 0.79 RAB9A (0.68) ALDH1A1LMNACYP2C19RAB9ANPC1
SCHEMBL10935004 0.79 MME (0.56) HCAR3HCAR2HDAC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 US disclosed
EP-3724197-A1 FUSED PYRIDINES WHICH ACT AS INHIBITORS OF H-PGDS GlaxoSmithKline Intellectual Property Development Ltd (GB) 2020-10-21 EP disclosed
WO-2019116256-A1 FUSED PYRIDINES WHICH ACT AS INHIBITORS OF H-PGDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-06-20 WO disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 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 (2 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-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HCAR3 2703/4885HCAR2 1991/4885ALDH1A1 1067/4885
US-20230159504-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINB1, SERPINE1 HCAR3 2177/4885HCAR2 1639/4885ALDH1A1 542/4885

“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.