SCHEMBL1624744

SCHEMBL1624744

Cn1c(-c2cc(Br)ccc2Cl)nc2ccncc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 1/20 0.43
PDE2A O00408 10/20 0.43
POLB P06746 1/20 0.42
PDE10A Q9Y233 2/20 0.42
PDE4D Q08499 1/20 0.42
PDE11A Q9HCR9 1/20 0.42
CYP19A1 P11511 1/20 0.40
ATM Q13315 1/20 0.39
KCNH2 Q12809 1/20 0.39
AOC3 Q16853 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
AGPAT2 O15120 2/20 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
SCHEMBL29978223 0.82 RAB9A (0.51) SMN1; SMN2HTTPDE2APDE10ANPC1
SCHEMBL1624942 0.82 RAB9A (0.51) SMN1; SMN2HTTPDE2APDE10ANPC1
SCHEMBL29978531 0.79 CYP11B1 (0.48) SMN1; SMN2PDE2APDE10ANPC1ALDH1A1
SCHEMBL28343770 0.79 CYP11B1 (0.48) SMN1; SMN2PDE2APDE10ANPC1ALDH1A1
SCHEMBL1624377 0.78 AGPAT2 (0.59) SMN1; SMN2PDE2APDE10ANPC1ALDH1A1
SCHEMBL1284166 0.77 PDE2A (0.40) SMN1; SMN2HTTPDE2APDE10APDE4D
SCHEMBL17896729 0.76 PDE10A (0.46) SMN1; SMN2PDE2APOLBPDE10AATM
SCHEMBL1624507 0.74 AGPAT2 (0.49) SMN1; SMN2PDE2APDE10ANPC1ALDH1A1
SCHEMBL10176223 0.71 SMN1; SMN2 (0.50) SMN1; SMN2POLBATMKCNH2AOC3
SCHEMBL10175361 0.70 PDE2A (0.52) SMN1; SMN2PDE2APOLBPDE10AATM

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 SMN1; SMN2 2687/4885HTT 993/4885PDE2A 2811/4885

“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.