SCHEMBL4228436

SCHEMBL4228436

COc1cc(N)c(F)cc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
TAAR1 Q96RJ0 2/20 0.43
MAPK1 P28482 1/20 0.43
MAOB P27338 1/20 0.42
LMNA P02545 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP1A2 P05177 1/20 0.42
NFKB1 P19838 1/20 0.42
GLA P06280 1/20 0.42
TUBB1 Q9H4B7 1/20 0.41
NPC1 O15118 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
APEX1 P27695 1/20 0.41
KDM4E B2RXH2 2/20 0.40
PKM P14618 1/20 0.40
CA2 P00918 2/20 0.39
EP300 Q09472 1/20 0.39
NR3C1 P04150 1/20 0.39
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL29034467 0.92 TSHR (0.43) TSHRTAAR1MAPK1MAOBLMNA
SCHEMBL19914419 0.83 KDM4E (0.42) TSHRTAAR1MAPK1MAOBLMNA
SCHEMBL13008679 0.82 KDM4E (0.50) TSHRTAAR1MAPK1MAOBLMNA
SCHEMBL1766204 0.82 NPC1 (0.46) TSHRCYP3A4NPC1MEN1KMT2A
SCHEMBL1044562 0.82 MAOB (0.48) TSHRTAAR1MAPK1MAOBLMNA
SCHEMBL11702085 0.80 PKM (0.53) TSHRTAAR1MAPK1MAOBLMNA
Hydrochloric Acid SCHEMBL1401266 0.80 KDM4E (0.48) TSHRTAAR1MAPK1MAOBLMNA
SCHEMBL1708520 0.80 NPC1 (0.45) TSHRMAPK1LMNACYP3A4TUBB1
SCHEMBL31555963 0.80 NPC1 (0.45) TSHRMAPK1LMNACYP3A4TUBB1
SCHEMBL16173473 0.80 MAOB (0.46) TSHRTAAR1MAPK1MAOBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 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-20090233910-A1 Npy antagonists, preparation and uses NPY1R, NPY5R, NPY2R TSHR 187/4885TAAR1 125/4885MAPK1 1312/4885

“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.