SCHEMBL25833145

SCHEMBL25833145

Cc1ccc(-c2nc([SH](C)C)nc(C(C)(C)C)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.36
ADORA1 P30542 2/20 0.36
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
HPGD P15428 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
ADORA2A P29274 1/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
PTBP1 P26599 1/20 0.33
CYP2C19 P33261 1/20 0.33
TNFSF10 P50591 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL25762593 0.84 NPC1 (0.42) ADORA3ADORA1NPC1RAB9AHPGD
SCHEMBL25817332 0.84 NPC1 (0.42) ADORA3ADORA1NPC1RAB9AHPGD
SCHEMBL25833219 0.78 CYP1A2 (0.37) HPGDMEN1KMT2ACYP1A2CYP2C19
SCHEMBL25490530 0.77 L3MBTL1 (0.53) ADORA3ADORA1NPC1RAB9AHPGD
SCHEMBL25765455 0.76 L3MBTL1 (0.52) ADORA3ADORA1NPC1RAB9AHPGD
SCHEMBL25490529 0.70 MEN1 (0.41) ADORA3ADORA1NPC1RAB9AHPGD
SCHEMBL9849715 0.69 CYP1A2 (0.40) ADORA3ADORA1NPC1RAB9AHPGD
SCHEMBL11976541 0.69 TSHR (0.65) NPC1RAB9AHPGDHTTLMNA
SCHEMBL19723432 0.69 TSHR (0.65) NPC1RAB9AHPGDHTTLMNA
SCHEMBL25817344 0.69 RAB9A (0.62) NPC1RAB9AHPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230217825-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-07-06 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-20230217825-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME OR10J3, AOC2, EPCAM ADORA3 4706/4885ADORA1 4569/4885NPC1 3348/4885

“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.