SCHEMBL12795355

SCHEMBL12795355

CSc1nsc(/N=N/C2=C(O)c3ccccc3C2=O)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
MAPK1 P28482 2/20 0.35
KMT2A Q03164 6/20 0.34
MEN1 O00255 2/20 0.34
MAP2K7 O14733 1/20 0.34
CDC25A P30304 1/20 0.34
CDC25B P30305 1/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
APAF1 O14727 1/20 0.33
TDP2 O95551 1/20 0.33
MAPT P10636 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PKM P14618 1/20 0.33
P2RX7 Q99572 2/20 0.32
TP53 P04637 1/20 0.31
MAPK10 P53779 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL12795337 0.83 MAPK1 (0.36) TSHRALDH1A1LMNAMAPK1KMT2A
SCHEMBL17029699 0.80 ALDH1A1 (0.36) TSHRALDH1A1LMNAMAPK1KMT2A
SCHEMBL12034185 0.68 ALDH1A1 (0.39) TSHRALDH1A1MAPK1KMT2AMEN1
SCHEMBL24504568 0.68 PTGS2 (0.39) TSHRALDH1A1LMNAMAPK1KMT2A
SCHEMBL24504697 0.66 KMT2A (0.49) TSHRALDH1A1LMNAMAPK1KMT2A
SCHEMBL12034125 0.66 ALDH1A1 (0.38) TSHRALDH1A1LMNAMAPK1KMT2A
SCHEMBL24504356 0.66 KMT2A (0.33) TSHRALDH1A1LMNAMAPK1KMT2A
SCHEMBL16601906 0.65 APAF1 (0.39) TSHRALDH1A1LMNAMAPK1KMT2A
SCHEMBL18631945 0.65 PTGS1 (0.43) TSHRALDH1A1LMNAMAPK1KMT2A
SCHEMBL12034181 0.65 TDP2 (0.41) TSHRALDH1A1LMNAMAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7896931-B2 Hair dye composition KAO CORPORATION (JP) 2011-03-01 US disclosed
US-7896931-B2 Hair dye composition KAO CORPORATION (JP) 2011-03-01 US disclosed
US-20100146716-A1 HAIR DYE COMPOSITION KAO CORPORATION (JP) 2010-06-17 US disclosed
US-20100146716-A1 HAIR DYE COMPOSITION KAO CORPORATION (JP) 2010-06-17 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-20100146716-A1 HAIR DYE COMPOSITION ARSA, H1-4, H1-0 TSHR 675/4885ALDH1A1 585/4885LMNA 2924/4885

“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.