SCHEMBL14754381

SCHEMBL14754381

N/C(=C\S)c1cccc(N2CCCCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.59
▸ GAA P10253 4/20 0.59
▸ HPGD P15428 2/20 0.59
▸ HSD17B10 Q99714 2/20 0.59
▸ MEN1 O00255 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ KMO O15229 1/20 0.44
▸ PTPN1 P18031 2/20 0.44
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ L3MBTL3 Q96JM7 1/20 0.44
▸ AGXT P21549 1/20 0.42
▸ MAPT P10636 5/20 0.41
▸ LMNA P02545 3/20 0.41
▸ ALOX15 P16050 3/20 0.41
▸ TSHR P16473 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL15075678 0.98 ALDH1A1 (0.61) ALDH1A1GAAHPGDHSD17B10MEN1
SCHEMBL30290422 0.83 GAA (0.72) ALDH1A1GAAHPGDHSD17B10MEN1
SCHEMBL1397690 0.83 GAA (0.72) ALDH1A1GAAHPGDHSD17B10MEN1
Hydrochloric Acid SCHEMBL4630423 0.82 GAA (0.70) ALDH1A1GAAHPGDHSD17B10MEN1
SCHEMBL1397363 0.82 GAA (0.74) ALDH1A1GAAHPGDHSD17B10MEN1
SCHEMBL15075762 0.80 ALDH1A1 (0.51) ALDH1A1GAAHPGDHSD17B10MEN1
SCHEMBL27369622 0.79 ALDH1A1 (0.70) ALDH1A1GAAHPGDHSD17B10MEN1
Hydrochloric Acid SCHEMBL1870396 0.78 F10 (0.59) ALDH1A1GAAHPGDHSD17B10MEN1
SCHEMBL1517128 0.77 ALDH1A1 (0.96) ALDH1A1GAAHPGDHSD17B10MEN1
SCHEMBL26478144 0.77 KDM4E (0.62) ALDH1A1GAAHPGDHSD17B10MEN1

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-20130165427-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. (US) 2013-06-27 — — US disclosed
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS HYDRA BIOSCIENCES, INC. 2013-03-07 — — 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-20130165427-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 ALDH1A1 1104/4885GAA 1962/4885HPGD 1082/4885
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 ALDH1A1 968/4885GAA 640/4885HPGD 1228/4885

“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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