SCHEMBL3724967

SCHEMBL3724967

Cc1cccc(C(N)CO)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.42
NOS2 P35228 1/20 0.42
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
P2RX7 Q99572 1/20 0.41
CCR1 P32246 1/20 0.40
CCR8 P51685 1/20 0.40
IRAK4 Q9NWZ3 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PDCD1LG2 Q9BQ51 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
FDPS P14324 1/20 0.34
FDFT1 P37268 1/20 0.34
MAP4K4 O95819 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL18308989 1.00 NOS3 (0.42) NOS3NOS2HTTRECQLP2RX7
SCHEMBL5769776 1.00 NOS3 (0.42) NOS3NOS2HTTRECQLP2RX7
Hydrochloric Acid SCHEMBL1439127 0.98 NOS3 (0.41) NOS3NOS2HTTRECQLP2RX7
Hydrochloric Acid SCHEMBL1439130 0.98 NOS3 (0.41) NOS3NOS2HTTRECQLP2RX7
Hydrochloric Acid SCHEMBL29676903 0.98 NOS3 (0.41) NOS3NOS2HTTRECQLP2RX7
Hydrochloric Acid SCHEMBL15229206 0.98 NOS3 (0.41) NOS3NOS2HTTRECQLP2RX7
SCHEMBL1579654 0.82 NOS3 (0.43) NOS3NOS2HTTRECQLP2RX7
SCHEMBL29337219 0.81 IRAK4 (0.40) NOS2IRAK4PDCD1LG2CD274
SCHEMBL27485171 0.79 IRAK4 (0.54) NOS3NOS2HTTRECQLP2RX7
SCHEMBL13915474 0.78 HTT (0.42) NOS3NOS2HTTRECQLP2RX7

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-9481684-B2 Gonadotropin releasing hormone receptor antagonists, method for the preparation thereof and pharmaceutical composition comprising the same SK CHEMICALS CO., LTD. (KR) 2016-11-01 US disclosed
US-20150166558-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SK CHEMICALS CO., LTD. (KR) 2015-06-18 US disclosed
WO-2010132015-A1 NEW COMPOUNDS MODULATING GAMMA-SECRETASE AND THEIR USE IN THE TREATMENT OF ALPHA BETA RELATED PATHOLOGIES, SUCH AS ALZHEIMER'S DISEASE ASTRAZENECA AB (SE) 2010-11-18 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-20150166558-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME GNRHR, FSHR, GHRHR NOS3 3543/4885NOS2 3564/4885HTT 293/4885

“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.