SCHEMBL4888531

SCHEMBL4888531

[c]1nc(-c2n[nH]c3ccccc23)cs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 5/20 0.53
IDO1 P14902 3/20 0.51
KDM4E B2RXH2 3/20 0.51
GAA P10253 2/20 0.51
ALDH1A1 P00352 2/20 0.51
TTK P33981 2/20 0.51
ALPL P05186 1/20 0.51
HPGD P15428 1/20 0.51
MAPK10 P53779 1/20 0.51
FGFR1 P11362 1/20 0.43
FLT1 P17948 1/20 0.43
AURKA O14965 1/20 0.43
ITK Q08881 1/20 0.43
MAP2K4 P45985 2/20 0.42
PDPK1 O15530 1/20 0.42
CYP3A4 P08684 1/20 0.42
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
HTR2A P28223 1/20 0.40

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
SCHEMBL1672674 0.74 IDO1 (0.78) LRRK2IDO1KDM4EGAAALDH1A1
SCHEMBL1651151 0.73 LRRK2 (0.56) LRRK2IDO1KDM4EGAAALDH1A1
SCHEMBL11772208 0.72 LRRK2 (0.58) LRRK2IDO1KDM4EGAAALDH1A1
SCHEMBL18038340 0.72 LRRK2 (0.54) LRRK2IDO1KDM4EGAAALDH1A1
SCHEMBL6797540 0.71 LRRK2 (0.53) LRRK2IDO1KDM4EGAAALDH1A1
SCHEMBL1807830 0.71 ALDH1A1 (0.55) LRRK2IDO1KDM4EGAAALDH1A1
SCHEMBL8561260 0.71 MEN1 (0.55) KDM4EGAAALDH1A1HPGDCYP3A4
SCHEMBL1328336 0.69 LRRK2 (1.00) LRRK2IDO1KDM4EGAAALDH1A1
SCHEMBL30316298 0.69 LRRK2 (1.00) LRRK2IDO1KDM4EGAAALDH1A1
SCHEMBL4310603 0.69 LRRK2 (0.59) LRRK2IDO1KDM4EGAAALDH1A1

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-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
US-5834450-A 9- (substituted amino) -alpha-6-deoxy-5-oxy tetracycline derivatives, their preparation and their use as antibiotics PFIZER INC. (US) 1998-11-10 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 LRRK2 1274/4885IDO1 1792/4885KDM4E 4511/4885

“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.