SCHEMBL4208247

SCHEMBL4208247

Fc1ccc(SCc2ccccn2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.47
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MAPT P10636 4/20 0.45
DAO P14920 1/20 0.45
POLB P06746 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HSP90AA1 P07900 1/20 0.43
AGTR1 P30556 1/20 0.43
OPRK1 P41145 1/20 0.43
KDM4E B2RXH2 2/20 0.42
METAP2 P50579 1/20 0.41
CCR2 P41597 1/20 0.40
RECQL P46063 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2E1 P05181 1/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL11177471 0.86 GRM5 (0.50) NPC1RAB9ASMN1; SMN2MAPTDAO
SCHEMBL11163593 0.81 NPC1 (0.58) NPC1RAB9ASMN1; SMN2MAPTDAO
Hydrochloric Acid SCHEMBL11174365 0.80 NPC1 (0.57) NPC1RAB9ASMN1; SMN2MAPTDAO
SCHEMBL9719840 0.79 CYP1A2 (0.48) NPC1RAB9ASMN1; SMN2MAPTDAO
SCHEMBL4635750 0.78 RAB9A (0.53) NPC1RAB9ASMN1; SMN2MAPTDAO
SCHEMBL29405082 0.73 NPC1 (0.59) NPC1RAB9ASMN1; SMN2MAPTDAO
SCHEMBL432670 0.73 NPC1 (0.59) NPC1RAB9ASMN1; SMN2MAPTDAO
SCHEMBL9719871 0.72 DAO (0.41) NPC1RAB9ASMN1; SMN2MAPTDAO
SCHEMBL9360323 0.72 DAO (0.56) NPC1RAB9ASMN1; SMN2MAPTDAO
SCHEMBL9719848 0.71 MAPT (0.45) NPC1RAB9ASMN1; SMN2MAPTDAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101326161-B Novel compounds ASTRAZENECA AB 2013-04-17 CN disclosed
US-20090192163-A1 Novel Compounds ASTRAZENECA AB (SE) 2009-07-30 US disclosed
US-20080293775-A1 Substituted Diphenylethers, -Amines, -Sulfides and -Methanes for the Treatment of Respiratory Disease ASTRAZENECA AB (SE) 2008-11-27 US disclosed
EP-1963259-A2 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE AstraZeneca AB (SE) 2008-09-03 EP disclosed
EP-1937632-A1 NOVEL COMPOUNDS Astra Zeneca AB (SE) 2008-07-02 EP disclosed
WO-2007068894-A2 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2007-06-21 WO disclosed
WO-2007039736-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2007-04-12 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-20080293775-A1 Substituted Diphenylethers, -Amines, -Sulfides and -Methanes for the Treatment of Respiratory Disease PNMT, SQOR, SMS NPC1 2239/4885RAB9A 3617/4885SMN1; SMN2 231/4885
US-20090192163-A1 Novel Compounds PAH, PC, DDC NPC1 588/4885RAB9A 1494/4885SMN1; SMN2 3960/4885

“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.