SCHEMBL25833219

SCHEMBL25833219

C[SH](C)c1nc(-c2ccc3ccccc3c2)nc(C(C)(C)C)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
GSTP1 P09211 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
CYP17A1 P05093 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP2C9 P11712 2/20 0.34
HPGD P15428 2/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
ABL1 P00519 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
SCHEMBL19862808 0.86 GSTP1 (0.41) CYP1A2SMN1; SMN2ALDH1A1HSD17B10KDM4E
SCHEMBL25817350 0.86 GSTP1 (0.41) CYP1A2SMN1; SMN2ALDH1A1HSD17B10KDM4E
SCHEMBL23473684 0.81 MEN1 (0.49) CYP1A2SMN1; SMN2ALDH1A1HSD17B10KDM4E
SCHEMBL25833414 0.80 NPC1 (0.38) CYP1A2SMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL23759845 0.79 CYP1A2 (0.36) CYP1A2SMN1; SMN2ALDH1A1HSD17B10KDM4E
SCHEMBL25833145 0.78 ADORA3 (0.36) CYP1A2ALDH1A1MEN1KMT2AHPGD
SCHEMBL25833343 0.78 PTPN7 (0.36) CYP1A2SMN1; SMN2ALDH1A1HPGD
SCHEMBL25822066 0.78 IKBKB (0.36) CYP1A2SMN1; SMN2ALDH1A1HSD17B10KDM4E
SCHEMBL22249759 0.77 MEN1 (0.44) CYP1A2SMN1; SMN2ALDH1A1HSD17B10KDM4E
SCHEMBL25878008 0.77 MEN1 (0.47) CYP1A2SMN1; SMN2ALDH1A1HSD17B10KDM4E

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 CYP1A2 585/4885SMN1; SMN2 1571/4885ALDH1A1 489/4885

“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.