SCHEMBL13201277

SCHEMBL13201277

CCCNc1ccc(/N=N/c2n(C)cc[n+]2C)cc1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HDAC8 Q9BY41 3/20 0.31
POLB P06746 1/20 0.30
APOBEC3A P31941 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30

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
SCHEMBL14593806 1.00 ALDH1A1 (0.32) ALDH1A1GAAMAPTHDAC8POLB
SCHEMBL13069360 0.93 MAPT (0.34) ALDH1A1GAAMAPTHDAC8
SCHEMBL14566058 0.90 ALDH1A1 (0.33) ALDH1A1GAAMAPTHDAC8
SCHEMBL19348870 0.90 HDAC8 (0.32) ALDH1A1GAAMAPTHDAC8
SCHEMBL17784551 0.90 ALDH1A1 (0.33) ALDH1A1GAAMAPTHDAC8
SCHEMBL14435452 0.90 ALDH1A1 (0.33) ALDH1A1GAAMAPTHDAC8
SCHEMBL17784639 0.90 HDAC8 (0.32) ALDH1A1GAAMAPTHDAC8
SCHEMBL14559246 0.90 ABL1 (0.36) MAPT
Bromide SCHEMBL19348863 0.89 ALDH1A1 (0.32) ALDH1A1MAPTHDAC8
SCHEMBL17784676 0.89 PRSS1 (0.32) HDAC8

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-7771490-B2 Dyes containing a thiol group CIBA CORPORATION (US) 2010-08-10 US disclosed
US-20090300857-A1 hair dyes; washfast; thioethylation CIBA CORPORATION (US) 2009-12-10 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-20090300857-A1 hair dyes; washfast; thioethylation TMT1A, WASHC4, TPH1 ALDH1A1 13/4885GAA 4789/4885MAPT 4209/4885

“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.