SCHEMBL18559257

SCHEMBL18559257

CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1ccc(Br)cc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 1.00
▸ SMN1; SMN2 Q16637 1/20 1.00
▸ GAA P10253 1/20 0.74
▸ TSHR P16473 1/20 0.67
▸ NPC1 O15118 1/20 0.63
▸ HPGD P15428 1/20 0.61
▸ MAPT P10636 1/20 0.59
▸ ATM Q13315 1/20 0.59
▸ POLB P06746 1/20 0.57
▸ KMT2A Q03164 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ RAB9A P51151 1/20 0.55
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ FPR1 P21462 1/20 0.51

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
SCHEMBL18559258 0.85 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2GAATSHRNPC1
SCHEMBL18559323 0.83 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2GAATSHRNPC1
SCHEMBL18559336 0.80 TSHR (1.00) ALDH1A1SMN1; SMN2GAATSHRNPC1
SCHEMBL15986485 0.73 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2HPGDMAPTKMT2A
SCHEMBL13832314 0.73 POLB (0.65) ALDH1A1SMN1; SMN2TSHRHPGDMAPT
SCHEMBL13832297 0.72 POLB (0.64) ALDH1A1SMN1; SMN2TSHRHPGDMAPT
SCHEMBL18559315 0.72 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2GAAMAPTKMT2A
SCHEMBL18559255 0.71 TSHR (0.75) ALDH1A1SMN1; SMN2TSHRMAPTKMT2A
SCHEMBL15983704 0.70 TSHR (0.65) ALDH1A1SMN1; SMN2GAATSHRNPC1
SCHEMBL1898835 0.68 LMNA (0.59) ALDH1A1SMN1; SMN2GAATSHRHPGD

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 3579/4885SMN1; SMN2 4423/4885GAA 4325/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3568/4885SMN1; SMN2 4355/4885GAA 4349/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3579/4885SMN1; SMN2 4423/4885GAA 4325/4885
US-10188105-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3533/4885SMN1; SMN2 4404/4885GAA 4308/4885
US-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3568/4885SMN1; SMN2 4355/4885GAA 4349/4885

“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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