SCHEMBL18559057

SCHEMBL18559057

C=CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 1.00
▸ KMT2A Q03164 3/20 0.63
▸ POLB P06746 2/20 0.61
▸ TDP1 Q9NUW8 1/20 0.60
▸ MAPK1 P28482 4/20 0.60
▸ GAA P10253 4/20 0.59
▸ LMNA P02545 4/20 0.59
▸ MAPT P10636 3/20 0.59
▸ KDM4E B2RXH2 2/20 0.59
▸ NSD2 O96028 1/20 0.59
▸ ALPL P05186 1/20 0.59
▸ ALPG P10696 1/20 0.59
▸ APEX1 P27695 1/20 0.59
▸ RECQL P46063 1/20 0.59
▸ BLM P54132 1/20 0.59
▸ MCL1 Q07820 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ THRB P10828 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.55
▸ MEN1 O00255 2/20 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
SCHEMBL13831736 0.89 ALDH1A1 (0.80) ALDH1A1KMT2APOLBTDP1MAPK1
SCHEMBL4211839 0.86 ALDH1A1 (0.75) ALDH1A1POLBTDP1MAPK1GAA
SCHEMBL18559114 0.85 ALDH1A1 (0.74) ALDH1A1KMT2APOLBTDP1GAA
SCHEMBL18559061 0.84 LMNA (0.73) ALDH1A1KMT2APOLBMAPK1GAA
SCHEMBL13831660 0.83 ALDH1A1 (0.71) ALDH1A1KMT2APOLBMAPK1GAA
SCHEMBL18559062 0.82 ALDH1A1 (0.70) ALDH1A1KMT2APOLBMAPK1GAA
SCHEMBL18559225 0.82 ALDH1A1 (0.69) ALDH1A1KMT2APOLBMAPK1GAA
SCHEMBL18559222 0.81 ALDH1A1 (0.69) ALDH1A1KMT2APOLBTDP1MAPK1
SCHEMBL15986458 0.81 ALDH1A1 (0.69) ALDH1A1KMT2APOLBMAPK1GAA
SCHEMBL18559207 0.81 MAPT (0.73) ALDH1A1KMT2APOLBMAPK1GAA

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 3579/4885KMT2A 4200/4885POLB 4840/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3568/4885KMT2A 4243/4885POLB 4832/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3579/4885KMT2A 4200/4885POLB 4840/4885
US-10188105-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3533/4885KMT2A 4264/4885POLB 4834/4885
US-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3568/4885KMT2A 4243/4885POLB 4832/4885

“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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