SCHEMBL12415941

SCHEMBL12415941

O=C(Sc1ccccc1)c1cc(Cl)ncn1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TERT O14746 5/20 0.40
KMO O15229 9/20 0.39
MMP13 P45452 1/20 0.36
MAPT P10636 2/20 0.35
NR1I2 O75469 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
SCHEMBL3655141 0.75 KMT2A (0.50) KMOMMP13MAPT
SCHEMBL3034461 0.73 KMO (0.56) KMOMAPT
Hydrochloric Acid SCHEMBL550088 0.71 KMO (0.55) KMOMAPT
SCHEMBL28242027 0.70 KMO (0.40) KMO
SCHEMBL550087 0.69 KMO (0.39) KMO
SCHEMBL8364097 0.68 P4HTM (0.48)
SCHEMBL23361722 0.68 POLB (0.52) MMP13
SCHEMBL882676 0.67 KMO (0.38) KMOMAPT
SCHEMBL2774815 0.67 SIRT6 (0.50) KMO
SCHEMBL2774810 0.67 KMO (0.38) 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 5 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
US-8450327-B2 CGRP antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
US-20110172218-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-14 US disclosed
US-20110172218-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-14 US 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 TERT 2673/4885KMO 2779/4885MMP13 3053/4885

“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.