SCHEMBL1743935

SCHEMBL1743935

O=C(S)c1cc(Cl)ncn1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMO O15229 16/20 0.38
SIRT6 Q8N6T7 1/20 0.32
GRM4 Q14833 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL28242027 0.82 KMO (0.40) KMOSIRT6GRM4MEN1KMT2A
SCHEMBL3034461 0.80 KMO (0.56) KMO
SCHEMBL550087 0.80 KMO (0.39) KMOSIRT6GRM4MEN1KMT2A
SCHEMBL31196442 0.78 SIRT6 (0.50) KMOSIRT6LMNA
SCHEMBL882676 0.78 KMO (0.38) KMO
SCHEMBL2774810 0.78 KMO (0.38) KMOSIRT6GRM4MEN1KMT2A
SCHEMBL2774815 0.78 SIRT6 (0.50) KMOSIRT6LMNA
Hydrochloric Acid SCHEMBL550088 0.78 KMO (0.55) KMO
SCHEMBL22608932 0.74 MALT1 (0.38) KMOLMNA
SCHEMBL31191378 0.74 KMO (0.35) KMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2386558-B1 CGRP antagonists BOEHRINGER INGELHEIM INT (DE) 2014-10-01 EP disclosed
US-8450327-B2 CGRP antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
EP-2205599-B1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-06-06 EP disclosed
EP-2386558-A1 CGRP antagonists Boehringer Ingelheim International GmbH (DE) 2011-11-16 EP disclosed
US-20110253722-A1 METHOD AND SYSTEM FOR WATERPROOFING A MOBILE DEVICE TOMORROW'S INNOVATIONS (US) 2011-10-20 US disclosed
US-20110172218-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-14 US disclosed
EP-2205599-A1 CGRP ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2010-07-14 EP disclosed
WO-2009050234-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 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-20110172218-A1 CGRP ANTAGONISTS CALCRL, CALCR, CALCA KMO 2779/4885SIRT6 4547/4885GRM4 645/4885

“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.