SCHEMBL18556539

SCHEMBL18556539

Cn1c(SCc2ccccc2[N+](=O)[O-])nnc1-c1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 1.00
▸ CYP1A2 P05177 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ TSHR P16473 1/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ LMNA P02545 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ POLB P06746 1/20 0.53
▸ NPC1 O15118 4/20 0.52
▸ GAA P10253 1/20 0.49
▸ RECQL P46063 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ HSD17B10 Q99714 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ PKM P14618 1/20 0.47

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
SCHEMBL18559307 0.89 RAB9A (0.81) RAB9ATSHRSMN1; SMN2ALDH1A1LMNA
SCHEMBL4213672 0.88 RAB9A (0.78) RAB9ACYP1A2CYP2C19TSHRSMN1; SMN2
SCHEMBL18556534 0.82 RAB9A (0.69) RAB9ATSHRSMN1; SMN2ALDH1A1LMNA
SCHEMBL15983488 0.80 RAB9A (0.66) RAB9ATSHRSMN1; SMN2ALDH1A1LMNA
SCHEMBL4217035 0.77 RAB9A (0.62) RAB9ACYP1A2CYP2C19TSHRSMN1; SMN2
SCHEMBL18559305 0.75 RAB9A (0.60) RAB9ATSHRSMN1; SMN2ALDH1A1LMNA
SCHEMBL4218015 0.74 LMNA (0.65) RAB9ATSHRSMN1; SMN2ALDH1A1LMNA
SCHEMBL6404862 0.73 GAA (0.63) RAB9ACYP1A2CYP2C19TSHRSMN1; SMN2
SCHEMBL5711647 0.72 ALDH1A1 (0.78) RAB9ATSHRSMN1; SMN2ALDH1A1LMNA
SCHEMBL5480773 0.72 ALDH1A1 (0.78) RAB9ATSHRSMN1; SMN2ALDH1A1LMNA

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-20230136150-A1 Compositions for Inhibition of Insect Sensing UNIV VANDERBILT (US) 2023-05-04 — — US disclosed
US-9578881-B2 Compositions for inhibition of insect sensing VANDERBILT UNIVERSITY (US) 2017-02-28 — — 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-20230136150-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 RAB9A 3172/4885CYP1A2 3818/4885CYP2C19 4555/4885

“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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