SCHEMBL386804

SCHEMBL386804

O=c1[nH]ccc2cc(-c3ccc(Cl)cc3)sc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 2/20 0.49
LMNA P02545 1/20 0.49
CYP1A1 P04798 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP1B1 Q16678 1/20 0.46
CHEK1 O14757 2/20 0.43
NPC1 O15118 3/20 0.40
PDPK1 O15530 2/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
IKBKB O14920 2/20 0.38
CHUK O15111 1/20 0.38
MCHR1 Q99705 3/20 0.36
PRKDC P78527 1/20 0.36
AHR P35869 2/20 0.36
CMA1 P23946 1/20 0.36

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
SCHEMBL391808 0.84 PDPK1 (0.57) RAB9ASMN1; SMN2KDM4ECYP1A2NPC1
SCHEMBL390356 0.82 PDPK1 (0.42) RAB9ASMN1; SMN2KDM4ELMNACYP1A2
SCHEMBL390245 0.77 HDAC6 (0.46) RAB9ASMN1; SMN2KDM4ECHEK1NPC1
SCHEMBL392148 0.76 ROCK1 (0.47) RAB9ASMN1; SMN2KDM4ENPC1PDPK1
SCHEMBL1144530 0.76 RAB9A (0.50) RAB9ASMN1; SMN2KDM4ELMNACYP1A1
SCHEMBL390192 0.76 KDM4E (0.47) RAB9ASMN1; SMN2KDM4ELMNANPC1
SCHEMBL21963465 0.75 RAB9A (0.40) RAB9ASMN1; SMN2KDM4ELMNACYP1A1
SCHEMBL4208111 0.73 RAB9A (0.74) RAB9ASMN1; SMN2KDM4ELMNANPC1
SCHEMBL389801 0.73 STK17B (0.43) RAB9ASMN1; SMN2KDM4ELMNANPC1
SCHEMBL2582411 0.71 ALDH1A1 (0.44) RAB9ASMN1; SMN2KDM4ELMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120302547-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2012-11-29 US disclosed
US-20120302547-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2012-11-29 US disclosed
US-20120302547-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2012-11-29 US disclosed
US-8263772-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2012-09-11 US disclosed
US-8263772-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2012-09-11 US disclosed
US-8263772-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2012-09-11 US disclosed
US-8101764-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2012-01-24 US disclosed
US-20100016350-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2010-01-21 US disclosed
CN-101460503-A Novel MCH receptor antagonists LILLY CO ELI (US) 2009-06-17 CN disclosed
CN-101454328-A Novel mch receptor antagonists LILLY CO ELI (US) 2009-06-10 CN disclosed
US-20090093456-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-04-09 US disclosed
US-20090093456-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-04-09 US disclosed
US-20090093456-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-04-09 US disclosed
EP-2029610-A2 NOVEL MCH RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2009-03-04 EP disclosed
EP-2029609-A2 NOVEL MCH RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2009-03-04 EP disclosed
WO-2007146758-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-12-21 WO disclosed
WO-2007146758-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-12-21 WO disclosed
WO-2007146759-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-12-21 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 (3 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-20100016350-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R RAB9A 602/4885SMN1; SMN2 2533/4885KDM4E 2661/4885
US-20120302547-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R RAB9A 553/4885SMN1; SMN2 2564/4885KDM4E 2644/4885
US-20090093456-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R RAB9A 600/4885SMN1; SMN2 2550/4885KDM4E 2628/4885

“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.