SCHEMBL1625627

SCHEMBL1625627

Cc1ccc2[nH]c(-c3cc(N4CCC[C@H](C(=O)NCCN(C)C)C4)ccc3Cl)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 5/20 0.42
GHSR Q92847 7/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.40
NOTUM Q6P988 1/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL1623728 0.91 TP53 (0.42) GPBAR1KDM4EMEN1LMNAMAPT
SCHEMBL1625310 0.91 TP53 (0.42) GPBAR1KDM4EMEN1LMNAMAPT
SCHEMBL1625167 0.89 GPBAR1 (0.43) GPBAR1KDM4EMEN1LMNAMAPT
SCHEMBL1624935 0.89 GPBAR1 (0.43) GPBAR1KDM4EMEN1LMNAMAPT
SCHEMBL1284850 0.87 SMN1; SMN2 (0.51) GPBAR1KDM4EMEN1LMNAMAPT
SCHEMBL1623736 0.87 SMN1; SMN2 (0.51) GPBAR1KDM4EMEN1LMNAMAPT
SCHEMBL1625520 0.86 DGAT2 (0.39) LMNAMAPTNOTUM
SCHEMBL1624661 0.86 DGAT2 (0.39) LMNAMAPTNOTUM
SCHEMBL1625423 0.86 NOTUM (0.46) KDM4EMAPTKMT2ATP53NOTUM
SCHEMBL1625513 0.85 ALDH1A1 (0.45) GPBAR1LMNAMAPTTSHRNOTUM

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 4 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-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
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 GPBAR1 73/4885GHSR 918/4885KDM4E 3170/4885

“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.