SCHEMBL5384794

SCHEMBL5384794

CCC[N+](C)(C)NC(=O)c1ccc(N(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 10/20 0.52
▸ HDAC8 Q9BY41 6/20 0.52
▸ HDAC2 Q92769 6/20 0.52
▸ HDAC3 O15379 4/20 0.52
▸ HDAC11 Q96DB2 3/20 0.50
▸ ALDH1A1 P00352 6/20 0.49
▸ MAPT P10636 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ LMNA P02545 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ HDAC6 Q9UBN7 8/20 0.49
▸ POLB P06746 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ MCL1 Q07820 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ HDAC10 Q969S8 6/20 0.47
▸ HPGD P15428 2/20 0.46
▸ HTT P42858 2/20 0.46

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
SCHEMBL20815767 0.75 PLK1 (0.55) ALDH1A1MAPT
SCHEMBL12127779 0.73 HDAC1 (0.65) HDAC1HDAC8HDAC2HDAC3HDAC11
SCHEMBL13753321 0.73 ALDH1A1 (0.61) HDAC1HDAC8HDAC2HDAC3HDAC11
SCHEMBL963723 0.72 HDAC1 (0.61) HDAC1HDAC8HDAC2HDAC3HDAC11
SCHEMBL17404990 0.71 HDAC1 (0.72) HDAC1HDAC8HDAC2HDAC3HDAC11
SCHEMBL4432658 0.71 HDAC1 (0.60) HDAC1HDAC8HDAC2HDAC3HDAC11
SCHEMBL22015906 0.71 HDAC1 (0.71) HDAC1HDAC8HDAC2HDAC3HDAC11
Butane SCHEMBL11690769 0.71 MAPT (0.57) HDAC1HDAC8HDAC2HDAC3HDAC11
SCHEMBL11246236 0.70 KDM4E (0.61) HDAC1HDAC8HDAC2HDAC3HDAC11
SCHEMBL6674162 0.70 HDAC6 (0.89) HDAC1HDAC8HDAC2HDAC3HDAC11

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-7205436-B2 Process for manufacture of quaternary ammonium tosylate salts of cinnamidoalkylamines and / or benzamidoalkylamines GALAXY SURFACTANTS LIMITED (IN) 2007-04-17 — — US disclosed
US-7045139-B2 Process for manufacture of quaternary ammonium tosylate salts of cinnamidoalkylamines and/or benzamidoalkylamines GALAXY SURFACTANTS LIMITED (IN) 2006-05-16 — — US disclosed
US-20050209327-A1 Novel process for manufacture of quaternary ammonium tosylate salts of cinnamidoalkylamines and / or benzamidoalkylamines GALAXY SURFACTANTS LTD. (IN) 2005-09-22 — — US disclosed
US-20050080135-A1 Novel process for manufacture of quaternary ammonium tosylate salts of cinnamidoalkylamines and/or benzamidoalkylamines GALAXY SURFACTANTS LTD. (IN) 2005-04-14 — — 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 (2 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-20050209327-A1 Novel process for manufacture of quaternary ammonium tosylate salts of cinnamidoalkylamines and / or benzamidoalkylamines NISCH, CUTA, PFAS HDAC1 1160/4885HDAC8 2363/4885HDAC2 2064/4885
US-20050080135-A1 Novel process for manufacture of quaternary ammonium tosylate salts of cinnamidoalkylamines and/or benzamidoalkylamines NISCH, CUTA, PFAS HDAC1 1160/4885HDAC8 2363/4885HDAC2 2064/4885

“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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