SCHEMBL287238

SCHEMBL287238

Cc1nc(C(=O)O)c(C)o1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
MAPT P10636 3/20 0.33
HCAR2 Q8TDS4 2/20 0.33
TSHR P16473 2/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GRIA1 P42261 1/20 0.33
GRIA3 P42263 1/20 0.33
PDE4B Q07343 1/20 0.33
RECQL P46063 1/20 0.33
HPGD P15428 1/20 0.33
KDM1A O60341 1/20 0.33
USP2 O75604 2/20 0.33
POLB P06746 2/20 0.33
HTT P42858 2/20 0.33
HSD17B10 Q99714 2/20 0.33
FBP1 P09467 1/20 0.33
TARBP2 Q15633 1/20 0.33
PIN1 Q13526 1/20 0.32
CTSV O60911 1/20 0.32

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
Hydrochloric Acid SCHEMBL19119222 0.98 PDE4B (0.33) ALDH1A1MAPTHCAR2TSHRLMNA
SCHEMBL8613414 0.81 IKBKB (0.38) ALDH1A1SMN1; SMN2POLBHSD17B10FBP1
SCHEMBL9297041 0.79 HSD17B10 (0.38) ALDH1A1MAPTTSHRLMNASMN1; SMN2
SCHEMBL3260652 0.79 HCAR2 (0.41) ALDH1A1MAPTHCAR2TSHRLMNA
SCHEMBL3742227 0.79 POLB (0.44) ALDH1A1PDE4BPOLBHSD17B10FBP1
SCHEMBL539776 0.79 FBP1 (0.32) ALDH1A1POLBFBP1TARBP2CTSV
SCHEMBL8516132 0.77 IKBKB (0.40) ALDH1A1GRIA1GRIA3HPGDHSD17B10
SCHEMBL30295440 0.77 ALDH1A1 (0.31) ALDH1A1MAPTHCAR2TSHRLMNA
SCHEMBL20718289 0.77 ALDH1A1 (0.31) ALDH1A1MAPTHCAR2TSHRLMNA
SCHEMBL8308665 0.77 ALDH1A1 (0.39) ALDH1A1HCAR2TSHRLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110167944-B Substituted pyrazoloazepin-4-ones and their use as phosphodiesterase inhibitors 联合疗法公司 2024-08-23 CN claimed
EP-2755963-B1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-10-30 EP claimed
US-9382257-B2 Substituted pyrrolo[2,3-b]pyrazines as serine/threonine kinase inhibitors GENENTECH, INC. (US) 2016-07-05 US claimed
US-9260408-B2 Dihydroquinoline-2-one derivatives HOFFMANN-LA ROCHE INC. (US) 2016-02-16 US claimed
US-20150218176-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2015-08-06 US claimed
EP-2663559-B1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2015-07-01 EP claimed
US-20150080408-A1 PYRIDINYL AMIDES AS P2X3 AND P2X2/3 INHIBITORS ROCHE PALO ALTO LLC (US) 2015-03-19 US claimed
EP-2456763-B1 OXAZINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2015-01-21 EP claimed
US-20150018338-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2015-01-15 US claimed
EP-2755963-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-07-23 EP claimed
CN-101568536-A 2-aza-bicyclo[3.1.0]hexane derivatives ACTELION PHARMACEUTICALS LTD (CH) 2009-10-28 CN claimed
EP-2094690-A2 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-09-02 EP claimed
CN-101522618-A 3-aza-bicyclo[3.1.0]hexane derivatives ACTELION PHARMACEUTICALS LTD (CH) 2009-09-02 CN claimed
EP-2079690-A2 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-07-22 EP claimed
EP-1814880-B1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS, COMPOSITIONS, USES AND METHODS RELATED THERETO FERRER INT (ES) 2009-01-28 EP claimed
US-20080200473-A1 Imidazo [1,2-a]Pyridine Compounds, Compositions, Uses and Methods Thereto FERRER INTERNACIONAL, S.A. (ES) 2008-08-21 US claimed
WO-2008081399-A2 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-07-10 WO claimed
WO-2008038251-A2 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-04-03 WO claimed
EP-1814880-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS, COMPOSITIONS, USES AND METHODS RELATED THERETO FERRER INTERNACIONAL, S.A. (ES) 2007-08-08 EP claimed
WO-2006051063-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS, COMPOSITIONS, USES AND METHODS RELATED THERETO FERRER INTERNACIONAL S. A. (ES) 2006-05-18 WO claimed

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-20080200473-A1 Imidazo [1,2-a]Pyridine Compounds, Compositions, Uses and Methods Thereto GABRA1, GABRA2, GABRA3 ALDH1A1 169/4885MAPT 2244/4885HCAR2 64/4885
US-20150218176-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K2, MAP3K20 ALDH1A1 2724/4885MAPT 2387/4885HCAR2 4231/4885
US-20150080408-A1 PYRIDINYL AMIDES AS P2X3 AND P2X2/3 INHIBITORS P2RX3, P2RX2, P2RX1 ALDH1A1 2370/4885MAPT 4352/4885HCAR2 190/4885
US-20150018338-A1 OXAZINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS OTC, GRIK5, GRIN2C ALDH1A1 508/4885MAPT 45/4885HCAR2 640/4885

“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.