SCHEMBL336274

SCHEMBL336274

C1=CC2=C(CCCN2)OC1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.32
CA9 Q16790 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
SCHEMBL19203706 0.73
SCHEMBL18528198 0.67
SCHEMBL2616124 0.64
SCHEMBL23330237 0.63 OR51E2 (0.31)
SCHEMBL336101 0.60
SCHEMBL3518015 0.59 OR51E2 (0.37)
SCHEMBL13775942 0.58 FKBP5 (0.34)
SCHEMBL24435657 0.58
SCHEMBL18577008 0.58 OR51E2 (0.35)
SCHEMBL1000742 0.57 FKBP5 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097632-B2 Blocking hedgehog protein transduction signal passageway using alkaloid steroid JOHNS HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 2012-01-17 US claimed
US-20080058298-A1 Inhibitors of hedgehog signaling pathways, compositions and uses related thereto JOHNS HOPKINS UNIVERSITY SCHOOL OF MEDICINE 2008-03-06 US claimed
US-20060142245-A1 Inhibitors of hedgehog signaling pathways, compositions and uses related thereto JOHN HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 2006-06-29 US claimed
US-20060020020-A1 Regulators of the hedgehog pathway, compositions and uses related thereto CURIS, INC. (US) 2006-01-26 US claimed
US-20040127474-A1 Regulators of the hedgehog pathway, compositions and uses related thereto CURIS, INC. (US) 2004-07-01 US claimed
US-6432970-B2 REDUCE CELL SENSITIVITY JOHNS HOPKINS UNIVERSITY SCHOOL OF MEDICINE 2002-08-13 US claimed
JP-2002511415-A 2002-04-16 JP claimed
US-20020006931-A1 INHIBITORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO THE JOHNS HOPKINS UNIVERSITY 2002-01-17 US claimed
US-20010034337-A1 Regulators of the hedgehog pathway, compositions and uses related thereto CURIS, INC. 2001-10-25 US claimed
EP-1143961-A2 REGULATORS OF THE PTC OR SMOOTHENED PATHWAY, COMPOSITIONS AND USES RELATED THERETO Ontogeny, Inc. (US) 2001-10-17 EP claimed
EP-1067939-A1 USE OF STEROIDAL ALKALOID DERIVATIVES AS INHIBITORS OF HEDGEHOG SIGNALING PATHWAYS The Johns Hopkins University, School of Medicine, Office of Technology Licencing (US) 2001-01-17 EP claimed
WO-2000041545-A2 REGULATORS OF THE PCT OR SMOOTHENED PATHWAY, COMPOSITIONS AND USES RELATED THERETO ONTOGENY, INC. (US) 2000-07-20 WO claimed
WO-1999052534-A1 USE OF STEROIDAL ALKALOID DERIVATIVES AS INHIBITORS OF HEDGEHOG SIGNALING PATHWAYS JOHNS HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 1999-10-21 WO claimed
CN-117903152-A (E) -5,6,7, 8-tetrahydropyran pyridine-3-methyl formate derivative and preparation method and application thereof 西华大学 2024-04-19 CN disclosed
EP-1387674-B1 HEDGEHOG ANTAGONISTS, METHODS AND USES RELATED THERETO CURIS INC (US) 2017-01-18 EP disclosed
US-9440988-B2 Regulators of the hedgehog pathway, compositions and uses related thereto JOHN HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 2016-09-13 US disclosed
WO-2001027135-A2 REGULATORS OF THE HEDGEHOG PATHWAY, COMPOSITIONS AND USES RELATED THERETO JOHNS HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 2001-04-19 WO disclosed
EP-1067939-A1 USE OF STEROIDAL ALKALOID DERIVATIVES AS INHIBITORS OF HEDGEHOG SIGNALING PATHWAYS The Johns Hopkins University, School of Medicine, Office of Technology Licencing (US) 2001-01-17 EP disclosed
WO-2000041545-A2 REGULATORS OF THE PCT OR SMOOTHENED PATHWAY, COMPOSITIONS AND USES RELATED THERETO ONTOGENY, INC. (US) 2000-07-20 WO disclosed
WO-1999052534-A1 USE OF STEROIDAL ALKALOID DERIVATIVES AS INHIBITORS OF HEDGEHOG SIGNALING PATHWAYS JOHNS HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 1999-10-21 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 (6 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-20060020020-A1 Regulators of the hedgehog pathway, compositions and uses related thereto SHH, GLI1, SMO CA1 904/4885CA9 1758/4885
US-20020006931-A1 INHIBITORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO SHH, SMO, GLI1 CA1 1155/4885CA9 2882/4885
US-20010034337-A1 Regulators of the hedgehog pathway, compositions and uses related thereto SHH, SMO, GLI1 CA1 892/4885CA9 1777/4885
US-20040127474-A1 Regulators of the hedgehog pathway, compositions and uses related thereto SHH, GLI1, SMO CA1 904/4885CA9 1758/4885
US-20080058298-A1 Inhibitors of hedgehog signaling pathways, compositions and uses related thereto SHH, GLI1, SMO CA1 1271/4885CA9 2935/4885
US-20060142245-A1 Inhibitors of hedgehog signaling pathways, compositions and uses related thereto SHH, GLI1, SMO CA1 1230/4885CA9 2990/4885

“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.