SCHEMBL5810995

SCHEMBL5810995

Cc1cc(NC(=O)Nc2ccc(C(C)O)cc2)c2ncccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.48
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
HCRTR1 O43613 3/20 0.48
HCRTR2 O43614 2/20 0.48
HTR2C P28335 2/20 0.48
ADORA2A P29274 2/20 0.48
TP53 P04637 2/20 0.48
MAPK1 P28482 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
HTR2B P41595 1/20 0.48
IGF1R P08069 3/20 0.48
SMN1; SMN2 Q16637 5/20 0.45
MECP2 P51608 1/20 0.45
NPC1 O15118 4/20 0.42

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
SCHEMBL5814866 0.88 MAPT (0.46) MAPTMEN1KMT2AHCRTR1HCRTR2
SCHEMBL5811302 0.84 MAPT (0.54) MAPTMEN1KMT2AHCRTR1HCRTR2
SCHEMBL5817183 0.83 PIK3R1 (0.55) MAPTMEN1KMT2AHCRTR1HCRTR2
SCHEMBL5809934 0.83 HTR2C (0.57) MAPTMEN1KMT2AHCRTR1HCRTR2
SCHEMBL5816607 0.83 MAPT (0.57) MAPTMEN1KMT2AHCRTR1HCRTR2
SCHEMBL5809567 0.82 MAPT (0.48) MAPTMEN1KMT2AHCRTR1HCRTR2
SCHEMBL5816874 0.80 NPC1 (0.61) MAPTMEN1KMT2AMAPK1HDAC6
SCHEMBL5812162 0.78 MEN1 (0.48) MAPTMEN1KMT2AHCRTR1HCRTR2
SCHEMBL5816617 0.78 MEN1 (0.79) MAPTMEN1KMT2AHCRTR1HCRTR2
SCHEMBL5815119 0.77 HTR2C (0.62) MAPTMEN1KMT2AHCRTR1HCRTR2

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-6596730-B1 Phenyl urea and phenyl thiourea derivatives SMITHKLINE BEECHAM P.L.C. (GB) 2003-07-22 US claimed
US-20060178307-A1 Modulation of NMDA receptor currents via orexin receptor and/or CRF receptor THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2006-08-10 US disclosed
WO-2006081522-A2 MODULATION OF NMDA RECEPTOR CURRENTS VIA OREXIN RECEPTOR AND/OR CRF RECEPTOR THE REGENTS OF THE UNVERSITY OF CALIFORNIA (US) 2006-08-03 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-20060178307-A1 Modulation of NMDA receptor currents via orexin receptor and/or CRF receptor HCRTR2, HCRTR1, GRIN2B MAPT 2643/4885MEN1 2630/4885KMT2A 769/4885

“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.