SCHEMBL4886444

SCHEMBL4886444

CS/C(=N\C#N)NCc1ccc(C(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 13/20 0.49
NR1H4 Q96RI1 10/20 0.47
HDAC3 O15379 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 2/20 0.41
LMNA P02545 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
NPC1 O15118 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL4886448 1.00 EPHX2 (0.49) EPHX2NR1H4HDAC3HDAC8HDAC6
SCHEMBL4679517 0.82 MEN1 (0.45) MEN1KMT2ACYP1A2CYP2C19RAB9A
SCHEMBL4679515 0.82 MEN1 (0.45) MEN1KMT2ACYP1A2CYP2C19RAB9A
SCHEMBL13325143 0.82 IDO1 (0.53) MEN1KMT2ARAB9ALMNANPC1
SCHEMBL19494294 0.82 IDO1 (0.53) MEN1KMT2ARAB9ALMNANPC1
SCHEMBL8566519 0.81 IDO1 (0.36) EPHX2
Iodide SCHEMBL9427533 0.81 EPHX2 (0.50) EPHX2NR1H4HDAC3HDAC8HDAC6
Iodide SCHEMBL9427536 0.81 EPHX2 (0.50) EPHX2NR1H4HDAC3HDAC8HDAC6
SCHEMBL12049455 0.81 EPHX2 (0.52) EPHX2NR1H4HDAC3HDAC8HDAC6
SCHEMBL17731575 0.80 ALDH1A1 (0.50) EPHX2NR1H4MEN1KMT2ARAB9A

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 2 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

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-20080064687-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same TRPV1, TRPA1, TAS2R5 EPHX2 3840/4885NR1H4 640/4885HDAC3 4306/4885

“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.