SCHEMBL14088778

SCHEMBL14088778

COc1cccc(CNC(=O)NCCF)c1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
HTT P42858 1/20 0.64
MMP13 P45452 1/20 0.60
LMNA P02545 2/20 0.58
MEN1 O00255 1/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
ALOX15 P16050 1/20 0.58
GFER P55789 1/20 0.58
KMT2A Q03164 1/20 0.58
HSD17B10 Q99714 1/20 0.58
HPGD P15428 3/20 0.55
POLB P06746 1/20 0.55
ROCK2 O75116 1/20 0.55
ANPEP P15144 1/20 0.55
EPHX2 P34913 2/20 0.54
KDM4E B2RXH2 1/20 0.54
USP2 O75604 1/20 0.54

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
SCHEMBL3815151 0.90 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2HTTMMP13LMNA
SCHEMBL17905725 0.84 EPHX2 (0.69) ALDH1A1SMN1; SMN2HTTMMP13EPHX2
SCHEMBL22221566 0.83 EPHX2 (0.71) ALDH1A1SMN1; SMN2HTTMMP13EPHX2
SCHEMBL13853495 0.82 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2HTTMMP13LMNA
SCHEMBL26051502 0.82 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2HTTMMP13LMNA
SCHEMBL23771131 0.81 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2HTTMMP13LMNA
SCHEMBL4892249 0.81 FBP1 (0.53) ALDH1A1SMN1; SMN2MMP13LMNAMAPT
SCHEMBL13251391 0.81 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2HTTMMP13LMNA
SCHEMBL13272298 0.80 MTNR1A (0.58) ALDH1A1SMN1; SMN2HTTMMP13LMNA
SCHEMBL4893863 0.80 EPHX1 (0.49) LMNAMAPTALOX15KMT2AROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557853-B2 Aryl fluoroethyl ureas acting as alpha 2 adrenergic agents ALLERGAN, INC. (US) 2013-10-15 US disclosed
US-20080194650-A1 ARYL FLUOROETHYL UREAS ACTING AS ALPHA 2 ADRENERGIC AGENTS ALLERGHAN, INC. 2008-08-14 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-20080194650-A1 ARYL FLUOROETHYL UREAS ACTING AS ALPHA 2 ADRENERGIC AGENTS ADRB2, ADRA2C, ADRA2A ALDH1A1 389/4885SMN1; SMN2 2419/4885HTT 2853/4885

“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.