SCHEMBL15075762

SCHEMBL15075762

N/C(=C\S)c1ccc(N2CCCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.51
▸ NPC1 O15118 5/20 0.51
▸ RAB9A P51151 5/20 0.51
▸ MAPT P10636 4/20 0.51
▸ ALOX15 P16050 4/20 0.51
▸ HPGD P15428 3/20 0.51
▸ L3MBTL1 Q9Y468 3/20 0.51
▸ F2 P00734 2/20 0.51
▸ PRSS1 P07477 2/20 0.51
▸ PRSS2 P07478 2/20 0.51
▸ PRSS3 P35030 2/20 0.51
▸ TMPRSS6 Q8IU80 2/20 0.51
▸ ST14 Q9Y5Y6 2/20 0.51
▸ GRIN2D O15399 1/20 0.51
▸ GRIN3B O60391 1/20 0.51
▸ GRIN1 Q05586 1/20 0.51
▸ GRIN2A Q12879 1/20 0.51
▸ GRIN2B Q13224 1/20 0.51
▸ GRIN2C Q14957 1/20 0.51
▸ GRIN3A Q8TCU5 1/20 0.51

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
SCHEMBL19036704 0.84 ALDH1A1 (0.53) ALDH1A1NPC1RAB9AMAPTALOX15
SCHEMBL18175213 0.84 ALDH1A1 (0.53) ALDH1A1NPC1RAB9AMAPTALOX15
SCHEMBL14754381 0.80 ALDH1A1 (0.59) ALDH1A1NPC1RAB9AMAPTALOX15
SCHEMBL1397421 0.79 NPC1 (0.61) ALDH1A1NPC1RAB9AMAPTALOX15
SCHEMBL4873981 0.79 NPC1 (0.61) ALDH1A1NPC1RAB9AMAPTALOX15
SCHEMBL4767629 0.79 NPC1 (0.61) ALDH1A1NPC1RAB9AMAPTALOX15
SCHEMBL15075678 0.78 ALDH1A1 (0.61) ALDH1A1NPC1RAB9AMAPTALOX15
SCHEMBL3883363 0.77 MAPT (0.61) ALDH1A1NPC1RAB9AMAPTALOX15
SCHEMBL28319143 0.76 NPC1 (0.57) ALDH1A1NPC1RAB9AMAPTALOX15
SCHEMBL3555044 0.76 F2 (0.85) ALDH1A1NPC1RAB9AMAPTALOX15

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 1 patent. 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

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-20130165427-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 ALDH1A1 1104/4885NPC1 2375/4885RAB9A 1580/4885

“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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