SCHEMBL4851241

SCHEMBL4851241

CSC(=S)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.66
L3MBTL1 Q9Y468 3/20 0.65
MAPT P10636 8/20 0.64
ALDH1A1 P00352 7/20 0.64
GAA P10253 6/20 0.64
NPSR1 Q6W5P4 5/20 0.64
TDP1 Q9NUW8 4/20 0.64
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
IDO1 P14902 1/20 0.60
TP53 P04637 1/20 0.59
HTT P42858 2/20 0.58
RAB9A P51151 1/20 0.58
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C19 P33261 1/20 0.57
LMNA P02545 2/20 0.57
KDM4E B2RXH2 2/20 0.57

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
SCHEMBL10340526 0.81 L3MBTL1 (0.71) SMN1; SMN2L3MBTL1MAPTALDH1A1GAA
SCHEMBL7175227 0.81 MAPT (0.86) SMN1; SMN2L3MBTL1MAPTALDH1A1GAA
SCHEMBL12337052 0.81 MAPT (0.58) SMN1; SMN2L3MBTL1MAPTALDH1A1GAA
SCHEMBL22567938 0.80 MAPT (0.78) SMN1; SMN2L3MBTL1MAPTALDH1A1GAA
Iodide SCHEMBL10827355 0.79 MAPT (0.56) SMN1; SMN2L3MBTL1MAPTALDH1A1GAA
SCHEMBL5448283 0.79 SMN1; SMN2 (1.00) SMN1; SMN2L3MBTL1MAPTALDH1A1GAA
SCHEMBL12412637 0.79 ALDH1A1 (0.76) SMN1; SMN2L3MBTL1MAPTALDH1A1GAA
SCHEMBL12336440 0.78 MAPT (0.55) SMN1; SMN2L3MBTL1MAPTALDH1A1GAA
SCHEMBL20560252 0.78 MAPT (0.70) SMN1; SMN2L3MBTL1MAPTALDH1A1GAA
SCHEMBL230618 0.78 IDO1 (0.71) SMN1; SMN2L3MBTL1MAPTALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368454-B2 serotonin receptor modulator; antidepressant, anxiolytic agent; drug abuse; schizophrenia HOFFMANN-LA ROCHE INC. (US) 2008-05-06 US disclosed
EP-1861102-A1 USE OF 2-ANILINO-3,4-DIHYDRO-QUINAZOLINES AS 5HT5A RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2007-12-05 EP disclosed
US-20060211716-A1 (3,4-Dihydro-quinazolin-2-yl)-aryl-amines F. HOFFMAN-LA ROCHE AG, A SWISS COMPANY (CH) 2006-09-21 US disclosed
WO-2006097391-A1 USE OF 2 -ANILINO - 3 , 4 -DIHYDRO - QUINAZOLINES AS 5HT5A RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-09-21 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-20060211716-A1 (3,4-Dihydro-quinazolin-2-yl)-aryl-amines HTR5A, HTR1A, HTR2C SMN1; SMN2 1447/4885L3MBTL1 4464/4885MAPT 3022/4885

“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.