SCHEMBL5809934

SCHEMBL5809934

CSc1ccc(NC(=O)Nc2cc(C)nc3cccnc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.57
HTR2B P41595 2/20 0.57
MAPT P10636 7/20 0.51
NPC1 O15118 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
TP53 P04637 3/20 0.51
RAB9A P51151 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 2/20 0.51
GBA1 P04062 1/20 0.51
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
HCRTR1 O43613 3/20 0.49
HCRTR2 O43614 2/20 0.49
ADORA2A P29274 2/20 0.49
MAPK1 P28482 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49

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
SCHEMBL5811302 0.85 MAPT (0.54) HTR2CHTR2BMAPTNPC1SMN1; SMN2
SCHEMBL5816607 0.84 MAPT (0.57) HTR2CHTR2BMAPTNPC1SMN1; SMN2
SCHEMBL7095507 0.83 HTR2C (0.72) HTR2CHTR2BMAPTNPC1SMN1; SMN2
SCHEMBL5809567 0.83 MAPT (0.48) HTR2CHTR2BMAPTNPC1SMN1; SMN2
SCHEMBL5810995 0.83 MAPT (0.48) HTR2CHTR2BMAPTNPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL5964523 0.82 HTR2C (0.70) HTR2CHTR2BMAPTNPC1SMN1; SMN2
SCHEMBL5817183 0.82 PIK3R1 (0.55) HTR2CHTR2BMAPTNPC1SMN1; SMN2
SCHEMBL5816874 0.81 NPC1 (0.61) MAPTNPC1SMN1; SMN2RAB9AMEN1
SCHEMBL5814866 0.81 MAPT (0.46) HTR2CHTR2BMAPTNPC1SMN1; SMN2
SCHEMBL5812162 0.78 MEN1 (0.48) HTR2CHTR2BMAPTNPC1SMN1; SMN2

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 HTR2C 172/4885HTR2B 84/4885MAPT 2643/4885

“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.