SCHEMBL1625593

SCHEMBL1625593

O=C(NCCCN1CCOCC1)[C@@H]1CCCN(c2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
TP53 P04637 2/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
DUSP3 P51452 1/20 0.47
PTPN5 P54829 1/20 0.47
PTPN11 Q06124 1/20 0.47
LMNA P02545 1/20 0.45
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 1/20 0.43
NPC1 O15118 1/20 0.43
TRPV4 Q9HBA0 1/20 0.42
UBE2N P61088 1/20 0.42

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
SCHEMBL1623729 0.96 SMN1; SMN2 (0.47) SMN1; SMN2TP53TSHRHSD17B10RAB9A
SCHEMBL1625632 0.96 SMN1; SMN2 (0.47) SMN1; SMN2TP53TSHRHSD17B10RAB9A
SCHEMBL1625628 0.91 SMN1; SMN2 (0.47) SMN1; SMN2TP53TSHRHSD17B10RAB9A
SCHEMBL1623594 0.90 CYP1A2 (0.43) SMN1; SMN2TP53TSHRRAB9ALMNA
SCHEMBL1623736 0.86 SMN1; SMN2 (0.51) SMN1; SMN2TP53TSHRHSD17B10RAB9A
SCHEMBL1284004 0.86 SMN1; SMN2 (0.46) SMN1; SMN2TP53TSHRHSD17B10RAB9A
SCHEMBL1625655 0.86 SMN1; SMN2 (0.46) SMN1; SMN2TP53TSHRHSD17B10RAB9A
SCHEMBL1284850 0.86 SMN1; SMN2 (0.51) SMN1; SMN2TP53TSHRHSD17B10RAB9A
SCHEMBL1623790 0.84 SMN1; SMN2 (0.47) SMN1; SMN2TP53TSHRHSD17B10RAB9A
SCHEMBL1623728 0.84 TP53 (0.42) SMN1; SMN2TP53TSHRRAB9AALDH1A1

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 2687/4885TP53 537/4885TSHR 1408/4885

“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.