SCHEMBL4886449

SCHEMBL4886449

CSC(=NCc1ccc(C(C)(C)C)cc1)NC#N

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.39
NAMPT P43490 7/20 0.38
EPHX2 P34913 2/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
NR1H4 Q96RI1 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL8566515 0.81 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2NAMPTCYP1A2CYP2D6
SCHEMBL8566511 0.81 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2NAMPTCYP1A2CYP2D6
SCHEMBL4886444 0.74 EPHX2 (0.49) EPHX2CYP1A2CYP2C19NR1H4MEN1
SCHEMBL4886448 0.74 EPHX2 (0.49) EPHX2CYP1A2CYP2C19NR1H4MEN1
SCHEMBL9134643 0.74 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2NAMPTCYP1A2CYP2D6
SCHEMBL9777875 0.72 NAMPT (0.52) ALDH1A1SMN1; SMN2NAMPTCYP1A2CYP2D6
SCHEMBL10384856 0.72 NAMPT (0.52) ALDH1A1SMN1; SMN2NAMPTCYP1A2CYP2D6
SCHEMBL5452234 0.68 SLC22A2 (0.52) EPHX2CYP1A2CYP2D6CYP2C19NR1H4
SCHEMBL10725136 0.68 P2RX7 (0.49) ALDH1A1SMN1; SMN2CYP1A2CYP2D6CYP2C9
SCHEMBL10725133 0.68 P2RX7 (0.49) ALDH1A1SMN1; SMN2CYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071650-B2 Vanilloid receptor modulators; analgesic, antiinflammatory and antiulcer effects; such as 1-(1H-indol-5-ylmethyl)-3-phenethylthiourea PACIFIC CORPORATION (KR) 2011-12-06 US disclosed
US-20080064687-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same SUH YOUNG G 2008-03-13 US disclosed
EP-1303483-A4 NOVEL THIOUREA DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORP (KR) 2004-11-03 EP disclosed
US-20030153596-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same PACIFIC CORPORATION (KR) 2003-08-14 US disclosed
EP-1303483-A1 NOVEL THIOUREA DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORPORATION (KR) 2003-04-23 EP disclosed
WO-2002016318-A1 NOVEL THIOUREA DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORPORATION (KR) 2002-02-28 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 (2 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-20030153596-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same TAS2R40, TAS1R2, TAS2R45 ALDH1A1 2306/4885SMN1; SMN2 2222/4885NAMPT 2112/4885
US-20080064687-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same TRPV1, TRPA1, TAS2R5 ALDH1A1 2182/4885SMN1; SMN2 1383/4885NAMPT 2400/4885

“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.