SCHEMBL14667441

SCHEMBL14667441

COCCCSCC(=O)Nc1cc(C)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ TP53 P04637 1/20 0.45
▸ HDAC3 O15379 4/20 0.43
▸ HDAC1 Q13547 4/20 0.43
▸ HPGD P15428 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GAA P10253 4/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ HDAC2 Q92769 2/20 0.38
▸ HDAC10 Q969S8 2/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38

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
SCHEMBL14667384 0.86 PTGER4 (0.48) ALDH1A1HDAC3HDAC1HPGDKDM4E
SCHEMBL14667382 0.84 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1TP53HPGDKDM4E
SCHEMBL14667392 0.84 HDAC3 (0.51) HSD17B10ALDH1A1HDAC3HDAC1HPGD
SCHEMBL15942845 0.82 HDAC1 (0.42) SMN1; SMN2ALDH1A1HDAC3HDAC1HPGD
SCHEMBL15942860 0.81 ALOX15 (0.52) HSD17B10SMN1; SMN2ALDH1A1HPGDGAA
SCHEMBL18256223 0.80 HDAC3 (0.52) HSD17B10SMN1; SMN2HDAC3HDAC1HPGD
SCHEMBL14667409 0.79 MAPT (0.55) HSD17B10SMN1; SMN2ALDH1A1TP53HPGD
SCHEMBL14667401 0.78 ALOX15 (0.52) HSD17B10ALDH1A1HPGDGAAL3MBTL1
SCHEMBL15942847 0.78 LNPEP (0.45) —
SCHEMBL14667432 0.78 RECQL (0.55) HDAC3HDAC1HPGDGAAL3MBTL1

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-8802448-B2 Mixed mode ligands PALL CORPORATION (US) 2014-08-12 — — US disclosed
US-20130030154-A1 MIXED MODE LIGANDS PALL CORPORATION (US) 2013-01-31 — — 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-20130030154-A1 MIXED MODE LIGANDS NCL, NECTIN4, NCLN HSD17B10 3828/4885SMN1; SMN2 1247/4885ALDH1A1 3975/4885

“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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