SCHEMBL10061229

SCHEMBL10061229

CC[N+](CC)=c1ccc2nc3ccc(N4CCN(C(=O)CCl)CC4)cc3oc-2c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.36
▸ MAPT P10636 4/20 0.36
▸ TSHR P16473 3/20 0.36
▸ GAA P10253 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ APP P05067 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CKS1B P61024 1/20 0.34
▸ SKP1 P63208 1/20 0.34
▸ SKP2 Q13309 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ TP53 P04637 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
SCHEMBL14542900 0.89 MAPT (0.36) ALDH1A1MAPTTSHRGAAKMT2A
SCHEMBL13295296 0.88 MAPT (0.36) ALDH1A1MAPTTSHRGAAKMT2A
SCHEMBL23701708 0.84 APP (0.39) APPCYP1A2
SCHEMBL21678271 0.83 APP (0.38) APPCYP1A2
SCHEMBL14542899 0.80 POLB (0.35) ALDH1A1MAPTTSHRGAAKMT2A
SCHEMBL14542762 0.80 APP (0.35) MAPTGAAKMT2ASMN1; SMN2APP
SCHEMBL13043492 0.79 PTGES (0.36) ALDH1A1MAPTTSHRGAAMAPK1
SCHEMBL13295294 0.79 KDM4E (0.35) MAPTGAAKMT2ASMN1; SMN2APP
SCHEMBL25171250 0.75 APP (0.38) GAAKMT2AAPPCYP1A2
SCHEMBL23675021 0.75 APP (0.38) GAAKMT2AAPPCYP1A2

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-8206464-B2 Blue polymeric hair dyes BASF SE (DE) 2012-06-26 — — US disclosed
US-20110061179-A1 BLUE POLYMERIC HAIR DYES BASF SE (US) 2011-03-17 — — US disclosed
WO-2009090124-A1 BLUE POLYMERIC HAIR DYES BASF SE (DE) 2009-07-23 — — WO 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-20110061179-A1 BLUE POLYMERIC HAIR DYES CUTA, IK, TYR ALDH1A1 2076/4885MAPT 657/4885TSHR 3304/4885

“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.

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