SCHEMBL1423902

SCHEMBL1423902

Clc1ccc(OC2CCCCO2)c(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTPN1 P18031 2/20 0.38
PDE4B Q07343 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL16518358 0.85 MAPK1 (0.43) NPC1SMN1; SMN2LMNARAB9AALDH1A1
SCHEMBL11455772 0.85 CSNK2A1 (0.43) NPC1LMNARAB9AALDH1A1PDE4B
SCHEMBL12831493 0.82 PTPN1 (0.39) NPC1RAB9AMEN1KMT2APTPN1
SCHEMBL7161254 0.82 PTPN1 (0.41) SMN1; SMN2MEN1KMT2APTPN1PDE4B
SCHEMBL1423552 0.82 PTPN1 (0.39) NPC1SMN1; SMN2RAB9AALDH1A1KDM4E
SCHEMBL1423603 0.82 L3MBTL1 (0.42) NPC1RAB9AMEN1KMT2APTPN1
SCHEMBL13478345 0.82 TSHR (0.38) ALDH1A1PDE4B
SCHEMBL7242085 0.81 NPC1 (0.46) NPC1RAB9APTPN1PDE4B
SCHEMBL16518352 0.80 ALDH1A1 (0.44) NPC1SMN1; SMN2LMNARAB9AALDH1A1
SCHEMBL11463272 0.80 HPGD (0.44) SMN1; SMN2LMNAALDH1A1PDE4B

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-20110224204-A1 DI-SUBSTITUTED PHENYL COMPOUNDS ENVIVO PHARMACEUTICALS, INC. 2011-09-15 US disclosed
CN-102131798-A Di-substituted phenyl compounds used as inhibitors of phosphodiesterase 10 ENVIVO PHARMACEUTICALS INC 2011-07-20 CN disclosed
EP-2297131-A2 DI-SUBSTITUTED PHENYL COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS Envivo Pharmaceuticals, Inc. (US) 2011-03-23 EP disclosed
WO-2009158467-A2 DI-SUBSTITUTED PHENYL COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2009-12-30 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 (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-20110224204-A1 DI-SUBSTITUTED PHENYL COMPOUNDS PDE10A, PDE1A, PDE12 NPC1 2142/4885SMN1; SMN2 324/4885LMNA 3685/4885

“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.