SCHEMBL10247680

SCHEMBL10247680

CC1(c2cc(F)cc(F)c2)NC(=O)N(c2ccccn2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
SLC11A2 P49281 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 3/20 0.37
TSHR P16473 1/20 0.37
BACE1 P56817 2/20 0.37
APP P05067 1/20 0.37
POLB P06746 4/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
CYP1A2 P05177 1/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
MITF O75030 1/20 0.36
MAPT P10636 1/20 0.36
CASP6 P55212 1/20 0.36
CRBN Q96SW2 1/20 0.36
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 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
SCHEMBL4350278 0.72 SMN1; SMN2 (0.37) SMN1; SMN2SLC11A2ALDH1A1KMT2ATSHR
SCHEMBL2065569 0.71 P2RX7 (0.36) SMN1; SMN2ALDH1A1KMT2ABACE1APP
SCHEMBL10246211 0.70 BACE1 (0.44) ALDH1A1TSHRBACE1APPGAA
SCHEMBL10438506 0.70 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1POLBKDM4EGAA
SCHEMBL2065075 0.69 P2RX7 (0.35) SMN1; SMN2ALDH1A1KMT2ATSHRBACE1
SCHEMBL10246143 0.67 MEN1 (0.39) ALDH1A1KMT2ABACE1APPMEN1
SCHEMBL10246065 0.65 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1KMT2ATSHRKDM4E
SCHEMBL10246127 0.64 TDP1 (0.39) SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL28473494 0.63 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1KMT2APOLBKDM4E
SCHEMBL10246303 0.63 L3MBTL1 (0.38) SMN1; SMN2KMT2ABACE1MEN1MAPT

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
US-8148390-B2 Monocyclic anilide spirolactam CGRP receptor antagonists Merck, Sharp & Dohme, Corp. (US) 2012-04-03 US disclosed
US-8148390-B2 Monocyclic anilide spirolactam CGRP receptor antagonists Merck, Sharp & Dohme, Corp. (US) 2012-04-03 US disclosed
US-20100152216-A1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-06-17 US disclosed
US-20100152216-A1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-06-17 US disclosed
WO-2008112159-A2 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-09-18 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-20100152216-A1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CALCRL SMN1; SMN2 3944/4885SLC11A2 854/4885ALDH1A1 843/4885

“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.