SCHEMBL1284656

SCHEMBL1284656

COc1ccc2[nH]c(-c3cc(N4CCC(C(=O)N5CCOCC5)CC4)ccc3Cl)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
ALDH1A1 P00352 3/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 3/20 0.46
PRKAG1 P54619 1/20 0.46
PRKAA1 Q13131 1/20 0.46
PRKAB1 Q9Y478 1/20 0.46
POLB P06746 1/20 0.45
NOTUM Q6P988 1/20 0.45
TP53 P04637 1/20 0.44
KDM4E B2RXH2 2/20 0.43
KMT2A Q03164 1/20 0.43
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
FGFR1 P11362 1/20 0.41
ABL1 P00519 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL1283986 0.95 NOTUM (0.51) MAPTALDH1A1GAAHTTSMN1; SMN2
SCHEMBL1625121 0.93 PRKAG1 (0.49) MAPTALDH1A1LMNAPRKAG1PRKAA1
SCHEMBL1623246 0.92 MAPT (0.49) MAPTALDH1A1LMNAPRKAG1PRKAA1
SCHEMBL1623335 0.92 MAPT (0.49) MAPTALDH1A1LMNAPRKAG1PRKAA1
SCHEMBL1625272 0.91 MAPT (0.50) MAPTALDH1A1SMN1; SMN2LMNAPRKAG1
SCHEMBL1283952 0.89 MAPT (0.49) MAPTALDH1A1SMN1; SMN2LMNANOTUM
SCHEMBL1625294 0.89 MAPT (0.46) MAPTALDH1A1GAASMN1; SMN2LMNA
SCHEMBL1625477 0.88 NOTUM (0.49) MAPTPRKAG1PRKAA1PRKAB1NOTUM
SCHEMBL1284134 0.87 NOTUM (0.49) MAPTALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL1625269 0.87 NOTUM (0.49) MAPTALDH1A1SMN1; SMN2PRKAG1PRKAA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835648-B2 Hedgehog pathway antagonists and therapeutic applications thereof SIENA BIOTECH S.P.A. (IT) 2014-09-16 US claimed
EP-2440544-B1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH SPA (IT) 2013-08-14 EP claimed
EP-2440544-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF Siena Biotech S.p.A. (IT) 2012-04-18 EP claimed
US-20120088752-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2012-04-12 US claimed
WO-2010142426-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2010-12-16 WO claimed
US-8835648-B2 Hedgehog pathway antagonists and therapeutic applications thereof SIENA BIOTECH S.P.A. (IT) 2014-09-16 US disclosed
US-8835648-B2 Hedgehog pathway antagonists and therapeutic applications thereof SIENA BIOTECH S.P.A. (IT) 2014-09-16 US disclosed
US-8835648-B2 Hedgehog pathway antagonists and therapeutic applications thereof SIENA BIOTECH S.P.A. (IT) 2014-09-16 US disclosed
EP-2440544-B1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH SPA (IT) 2013-08-14 EP disclosed
US-20120088752-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2012-04-12 US disclosed
US-20120088752-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2012-04-12 US disclosed
US-20120088752-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2012-04-12 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 (1 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-20120088752-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SHH, GLI1, SMO MAPT 3104/4885ALDH1A1 2448/4885GAA 2515/4885

“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.