SCHEMBL4774968

SCHEMBL4774968

CC(C)NC(=O)c1nsc2cc(Br)ccc12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.45
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HTT P42858 2/20 0.45
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.40
LMNA P02545 6/20 0.40
TP53 P04637 5/20 0.40
RXFP1 Q9HBX9 2/20 0.40
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
CYP1A2 P05177 3/20 0.38
DYRK1A Q13627 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPGD P15428 2/20 0.37

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
SCHEMBL1096910 0.81 ELANE (0.46) SMN1; SMN2RAB9ANPC1HTTKDM4E
SCHEMBL23984482 0.80 TP53 (0.57) SMN1; SMN2KDM4ELMNATP53RXFP1
SCHEMBL260308 0.77 RXFP1 (0.41) SMN1; SMN2RAB9ANPC1ALDH1A1HTT
SCHEMBL30209249 0.77 RXFP1 (0.41) SMN1; SMN2RAB9ANPC1ALDH1A1HTT
SCHEMBL4777702 0.76 DGAT1 (0.39) RAB9ANPC1RXFP1CYP1A2DYRK1A
SCHEMBL25462209 0.76 POLB (0.43) SMN1; SMN2KDM4ELMNATP53RXFP1
SCHEMBL4794382 0.75 LMNA (0.38) SMN1; SMN2LMNATP53RXFP1MAPT
SCHEMBL4774485 0.75 TP53 (0.40) SMN1; SMN2KDM4ELMNATP53RXFP1
SCHEMBL492447 0.75 GABRA1 (0.39) SMN1; SMN2RAB9ANPC1TP53MAPT
SCHEMBL492013 0.75 ELANE (0.49) SMN1; SMN2RAB9ANPC1ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1991531-A1 CINNOLINE AND QUINOXALINE DERIVATES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP disclosed
EP-1991530-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP disclosed
US-20070287707-A1 Phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-12-13 US disclosed
US-20070265256-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-11-15 US disclosed
WO-2007100880-A1 CINNOLINE AND QUINAZOLINE DERIVATES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-09-07 WO disclosed
WO-2007098169-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-08-30 WO 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 (2 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-20070265256-A1 Phosphodiesterase 10 inhibitors PDE7A, PDE7B, PDE10A SMN1; SMN2 4053/4885RAB9A 440/4885NPC1 1992/4885
US-20070287707-A1 Phosphodiesterase 10 inhibitors PDE7A, PDE7B, PDE10A SMN1; SMN2 4346/4885RAB9A 593/4885NPC1 2050/4885

“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.