SCHEMBL1623736

SCHEMBL1623736

Cc1ccc2[nH]c(-c3cc(N4CCC[C@H](C(=O)NCCN5CCOCC5)C4)ccc3Cl)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 1/20 0.46
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TP53 P04637 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 3/20 0.41
CYP2C9 P11712 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.41
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL1284850 1.00 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ATSHRHSD17B10
SCHEMBL1623983 0.96 ALDH1A1 (0.46) SMN1; SMN2NPC1RAB9AHSD17B10KMT2A
SCHEMBL1625167 0.94 GPBAR1 (0.43) SMN1; SMN2NPC1RAB9ATSHRHSD17B10
SCHEMBL1624935 0.94 GPBAR1 (0.43) SMN1; SMN2NPC1RAB9ATSHRHSD17B10
SCHEMBL1625655 0.91 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ATSHRHSD17B10
SCHEMBL1284004 0.91 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ATSHRHSD17B10
SCHEMBL1623790 0.91 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ATSHRHSD17B10
SCHEMBL1623729 0.91 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ATSHRHSD17B10
SCHEMBL1625632 0.91 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ATSHRHSD17B10
SCHEMBL1625513 0.90 ALDH1A1 (0.45) SMN1; SMN2NPC1TSHRALDH1A1LMNA

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 SMN1; SMN2 2687/4885NPC1 380/4885RAB9A 1078/4885

“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.