SCHEMBL425928

SCHEMBL425928

CN(C(=O)n1cnc(-c2cccc(-c3cncnc3)c2)c1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
FAAH O00519 2/20 0.40
CES2 O00748 1/20 0.40
PIK3C3 Q8NEB9 4/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 3/20 0.35
HSD11B1 P28845 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
TYRO3 Q06418 2/20 0.34
LYN P07948 1/20 0.34
SYK P43405 1/20 0.34

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
SCHEMBL427917 0.91 TP53 (0.53) TSHRUSP2TP53ALOX15MAPK1
SCHEMBL427545 0.90 FAAH (0.47) TSHRUSP2TP53ALOX15MAPK1
SCHEMBL427136 0.89 USP2 (0.44) TSHRUSP2TP53ALOX15MAPK1
SCHEMBL425848 0.88 FAAH (0.41) TSHRUSP2TP53ALOX15MAPK1
SCHEMBL427135 0.88 TSHR (0.58) TSHRUSP2TP53ALOX15MAPK1
SCHEMBL424683 0.86 FAAH (0.41) TSHRUSP2TP53ALOX15MAPK1
SCHEMBL425871 0.86 FAAH (0.51) TSHRUSP2TP53ALOX15MAPK1
SCHEMBL427564 0.86 FAAH (0.40) TSHRUSP2TP53ALOX15MAPK1
SCHEMBL424646 0.86 USP2 (0.43) TSHRUSP2TP53ALOX15MAPK1
SCHEMBL427551 0.85 FAAH (0.42) TSHRUSP2TP53ALOX15MAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 TSHR 2673/4885USP2 517/4885TP53 4604/4885

“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.