SCHEMBL1284040

SCHEMBL1284040

CC1C(NC(=O)C2CCN(c3ccc(F)c(-c4nc5cc(Cl)ccc5[nH]4)c3)CC2)CCN1C

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGES O14684 15/20 0.43
PTGS2 P35354 2/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.37
APAF1 O14727 1/20 0.36

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
SCHEMBL1623232 0.82 PDE3B (0.48) LMNA
Hydrochloric Acid SCHEMBL1283814 0.81 PDE3B (0.47) LMNA
SCHEMBL1625215 0.80 LMNA (0.51) TP53MAPTLMNA
SCHEMBL1625569 0.80 TP53 (0.46) PTGESTP53MAPTLMNA
SCHEMBL1625057 0.80 EPHX2 (0.47) PTGESTP53MAPT
SCHEMBL1623592 0.79 LMNA (0.52) TP53MAPTLMNA
SCHEMBL1284041 0.76 PYGL (0.44) LMNA
SCHEMBL1625051 0.75 F10 (0.46) TP53MAPTLMNA
SCHEMBL1624785 0.74 PDE3B (0.47) MAPTLMNA
Hydrochloric Acid SCHEMBL1283850 0.73 PDE3B (0.46) MAPTLMNA

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 2 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 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 PTGES 2679/4885PTGS2 1886/4885TP53 537/4885

“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.