SCHEMBL14667382

SCHEMBL14667382

COCCCSCC(=O)Nc1cc([N+](=O)[O-])ccc1N

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.52
▸ MAPT P10636 9/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.52
▸ TP53 P04637 1/20 0.52
▸ LMNA P02545 5/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ MEN1 O00255 6/20 0.49
▸ KMT2A Q03164 6/20 0.49
▸ HPGD P15428 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HTT P42858 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ CRHBP P24387 1/20 0.45
▸ CASP3 P42574 1/20 0.45
▸ CRHR2 Q13324 1/20 0.45
▸ SENP8 Q96LD8 1/20 0.45
▸ SENP7 Q9BQF6 1/20 0.45
▸ SENP6 Q9GZR1 1/20 0.45

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
SCHEMBL14667441 0.84 HSD17B10 (0.47) ALDH1A1MAPTTP53LMNASMN1; SMN2
SCHEMBL14667513 0.83 ALDH1A1 (0.45) ALDH1A1MAPTNPSR1TP53LMNA
SCHEMBL14667384 0.82 PTGER4 (0.48) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL14667392 0.80 HDAC3 (0.51) ALDH1A1MAPTLMNAHPGD
SCHEMBL15942845 0.78 HDAC1 (0.42) ALDH1A1MAPTSMN1; SMN2HPGDKDM4E
SCHEMBL15942868 0.75 KMT2A (0.46) ALDH1A1MAPTNPSR1LMNASMN1; SMN2
SCHEMBL15942860 0.74 ALOX15 (0.52) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL15942847 0.74 LNPEP (0.45) —
SCHEMBL15942858 0.74 ALDH1A1 (0.49) ALDH1A1MAPTLMNAHPGDMAPK1
SCHEMBL14668915 0.72 ERAP2 (0.47) ALDH1A1TP53LMNAMAPK1

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-8802448-B2 Mixed mode ligands PALL CORPORATION (US) 2014-08-12 — — US disclosed
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 ALDH1A1 3975/4885MAPT 3322/4885NPSR1 1377/4885

“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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