SCHEMBL18559126

SCHEMBL18559126

CCCn1c(SCC(=O)Nc2cccc(C(=O)OC)c2)nnc1-c1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 1.00
▸ USP2 O75604 1/20 0.77
▸ ATM Q13315 1/20 0.65
▸ KMT2A Q03164 2/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ TSHR P16473 3/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ LMNA P02545 1/20 0.57
▸ MAPK1 P28482 1/20 0.56
▸ MAPT P10636 1/20 0.55

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
SCHEMBL18559054 0.87 ALDH1A1 (1.00) ALDH1A1USP2KMT2ATSHRLMNA
SCHEMBL13832000 0.86 ALDH1A1 (0.76) ALDH1A1USP2ATMKMT2AMEN1
SCHEMBL18559049 0.84 ALDH1A1 (0.82) ALDH1A1USP2KMT2AMEN1TSHR
SCHEMBL15986456 0.81 ALDH1A1 (0.69) ALDH1A1USP2ATMKMT2AMEN1
SCHEMBL18559308 0.81 ALDH1A1 (0.78) ALDH1A1USP2KMT2ATSHRSMN1; SMN2
SCHEMBL15986567 0.81 ALDH1A1 (0.68) ALDH1A1USP2KMT2AMEN1LMNA
SCHEMBL13831960 0.81 ALDH1A1 (0.67) ALDH1A1USP2ATMKMT2AMEN1
SCHEMBL13832140 0.79 ALDH1A1 (0.67) ALDH1A1USP2KMT2AMEN1TSHR
SCHEMBL13739253 0.79 ALDH1A1 (0.74) ALDH1A1USP2ATMKMT2AMEN1
SCHEMBL18559326 0.79 ATM (1.00) ALDH1A1USP2ATMKMT2ATSHR

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 6 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-20210219551-A1 Compositions for Inhibition of Insect Sensing VANDERBILT UNIVERSITY 2021-07-22 — — US disclosed
US-10813355-B2 Compositions for inhibition of insect sensing VANDERBILT UNIVERSITY (US) 2020-10-27 — — US disclosed
US-20190075798-A1 Compositions for Inhibition of Insect Sensing VANDERBILT UNIVERSITY 2019-03-14 — — US disclosed
US-10188105-B2 Compositions for inhibition of insect sensing VANDERBILT UNIVERSITY (US) 2019-01-29 — — 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 (5 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 ALDH1A1 3579/4885USP2 2348/4885ATM 1948/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3568/4885USP2 2256/4885ATM 1961/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3579/4885USP2 2348/4885ATM 1948/4885
US-10188105-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3533/4885USP2 2329/4885ATM 2056/4885
US-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3568/4885USP2 2256/4885ATM 1961/4885

“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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