SCHEMBL16393847

SCHEMBL16393847

CCOc1ccc(-c2nc3ccc(C=Cc4ccc(C(C)(C)C)cc4)cc3[nH]2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 8/20 0.57
▸ MAPT P10636 3/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ USP2 O75604 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ TP53 P04637 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ NFKB2 Q00653 1/20 0.56
▸ RELA Q04206 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ CHEK2 O96017 1/20 0.54
▸ HDAC6 Q9UBN7 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ SLCO2B1 O94956 1/20 0.50

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
SCHEMBL23424115 0.82 CHEK2 (0.64) TRPV1MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL8603497 0.80 ALDH1A1 (0.74) MAPTALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL16393845 0.79 HDAC6 (0.56) TRPV1MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL15201687 0.78 ALDH1A1 (0.49) TRPV1MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL25557809 0.77 RELA (0.65) MAPTALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL34460048 0.76 HDAC6 (0.58) TRPV1MAPTSMN1; SMN2TP53HDAC6
SCHEMBL22452317 0.72 NPC1 (0.70) MAPTALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL31027909 0.72 NPC1 (0.70) MAPTALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL18629758 0.71 TRPV1 (0.63) TRPV1CHEK2HDAC6NPBWR1SCD
SCHEMBL15245163 0.71 NPBWR1 (0.54) TRPV1MAPTALDH1A1SMN1; SMN2KDM4E

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-9498470-B2 Antiviral drugs for treatment of arenavirus infection Kineta Four, LLC (US) 2016-11-22 — — US disclosed
US-20150023916-A1 ANTIVIRAL DRUGS FOR TREATMENT OF ARENAVIRUS INFECTION SIGA TECHNOLOGIES INC. (US) 2015-01-22 — — 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-20150023916-A1 ANTIVIRAL DRUGS FOR TREATMENT OF ARENAVIRUS INFECTION EIF2AK2, ZC3HAV1, SARS1 TRPV1 2087/4885MAPT 4118/4885ALDH1A1 2286/4885

“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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