SCHEMBL18559361

SCHEMBL18559361

CCn1c(CNC(=O)Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.72
▸ HTT P42858 3/20 0.72
▸ MAPT P10636 2/20 0.72
▸ LMNA P02545 2/20 0.71
▸ TP53 P04637 1/20 0.68
▸ SMN1; SMN2 Q16637 1/20 0.68
▸ NPC1 O15118 1/20 0.64
▸ CYP3A4 P08684 1/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ SLC27A1 Q6PCB7 1/20 0.59
▸ GAA P10253 1/20 0.59
▸ HPGD P15428 1/20 0.59
▸ ALOX15 P16050 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ RECQL P46063 1/20 0.58
▸ THRB P10828 1/20 0.58
▸ KDM4E B2RXH2 1/20 0.58

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
SCHEMBL18559345 0.81 SMN1; SMN2 (1.00) ALDH1A1HTTMAPTLMNATP53
SCHEMBL4210220 0.80 TSHR (0.82) ALDH1A1HTTMAPTTP53SMN1; SMN2
SCHEMBL20682661 0.79 SMN1; SMN2 (0.79) ALDH1A1MAPTLMNATP53SMN1; SMN2
SCHEMBL18559346 0.78 ALDH1A1 (0.80) ALDH1A1HTTMAPTLMNATP53
SCHEMBL18559322 0.78 ALDH1A1 (0.80) ALDH1A1HTTMAPTLMNATP53
SCHEMBL18558808 0.76 CYP3A4 (1.00) ALDH1A1MAPTLMNATP53SMN1; SMN2
SCHEMBL14970840 0.76 TP53 (0.71) ALDH1A1MAPTTP53SMN1; SMN2CYP3A4
SCHEMBL18559154 0.75 SMN1; SMN2 (0.85) ALDH1A1HTTMAPTLMNATP53
SCHEMBL9995867 0.74 ALDH1A1 (0.79) ALDH1A1HTTMAPTLMNASMN1; SMN2
SCHEMBL13831486 0.74 MAPT (0.73) ALDH1A1MAPTLMNATP53SMN1; SMN2

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 3579/4885HTT 3745/4885MAPT 1741/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3568/4885HTT 3893/4885MAPT 2086/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3579/4885HTT 3745/4885MAPT 1741/4885
US-10188105-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3533/4885HTT 3893/4885MAPT 2002/4885
US-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3568/4885HTT 3893/4885MAPT 2086/4885

“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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