SCHEMBL18558808

SCHEMBL18558808

CCOc1ccc(NC(=O)CSc2nnc(CCNC(=O)c3ccc(OC)cc3)n2CC)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 1.00
▸ CYP2C9 P11712 1/20 1.00
▸ CYP2C19 P33261 1/20 1.00
▸ MAPT P10636 2/20 0.82
▸ TP53 P04637 2/20 0.71
▸ SMN1; SMN2 Q16637 3/20 0.66
▸ LMNA P02545 4/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ MAPK1 P28482 2/20 0.60
▸ ALOX15 P16050 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ THRB P10828 2/20 0.58
▸ GAA P10253 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ TSHR P16473 1/20 0.57

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
SCHEMBL18559365 0.83 ALDH1A1 (0.81) CYP3A4CYP2C9CYP2C19MAPTTP53
SCHEMBL18559345 0.79 SMN1; SMN2 (1.00) CYP3A4CYP2C9CYP2C19MAPTTP53
SCHEMBL4210220 0.76 TSHR (0.82) CYP3A4CYP2C9CYP2C19MAPTTP53
SCHEMBL18559361 0.76 ALDH1A1 (0.72) CYP3A4CYP2C9CYP2C19MAPTTP53
SCHEMBL15986433 0.75 CYP3A4 (0.60) CYP3A4CYP2C9CYP2C19MAPTLMNA
SCHEMBL18559212 0.75 L3MBTL1 (0.85) CYP3A4CYP2C9CYP2C19MAPTTP53
SCHEMBL18559322 0.75 ALDH1A1 (0.80) MAPTTP53SMN1; SMN2LMNAKMT2A
SCHEMBL18559346 0.75 ALDH1A1 (0.80) MAPTTP53SMN1; SMN2LMNAKMT2A
SCHEMBL20682661 0.74 SMN1; SMN2 (0.79) CYP3A4CYP2C9CYP2C19MAPTTP53
SCHEMBL4203644 0.73 POLB (0.78) MAPTTP53SMN1; SMN2LMNAKMT2A

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 CYP3A4 3922/4885CYP2C9 4491/4885CYP2C19 4555/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 CYP3A4 3964/4885CYP2C9 4563/4885CYP2C19 4613/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 CYP3A4 3922/4885CYP2C9 4491/4885CYP2C19 4555/4885
US-10188105-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 CYP3A4 3737/4885CYP2C9 4462/4885CYP2C19 4505/4885
US-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 CYP3A4 3964/4885CYP2C9 4563/4885CYP2C19 4613/4885

“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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