SCHEMBL18558960

SCHEMBL18558960

CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.71
▸ HTT P42858 3/20 0.71
▸ ALDH1A1 P00352 5/20 0.68
▸ USP2 O75604 4/20 0.68
▸ SMN1; SMN2 Q16637 4/20 0.68
▸ TSHR P16473 3/20 0.68
▸ RECQL P46063 1/20 0.68
▸ NOD2 Q9HC29 1/20 0.68
▸ MAPK1 P28482 4/20 0.67
▸ KMT2A Q03164 2/20 0.60
▸ MAPT P10636 3/20 0.59
▸ KDM4E B2RXH2 2/20 0.59
▸ HPGD P15428 1/20 0.59
▸ ALOX15 P16050 1/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ HSD17B10 Q99714 2/20 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
SCHEMBL18558963 0.93 ATM (0.63) LMNAHTTALDH1A1USP2SMN1; SMN2
SCHEMBL18559133 0.91 MEN1 (0.62) LMNAHTTALDH1A1USP2SMN1; SMN2
SCHEMBL18559279 0.85 LMNA (0.74) LMNAHTTALDH1A1USP2SMN1; SMN2
SCHEMBL18556548 0.84 MAPK1 (0.70) LMNAHTTALDH1A1USP2SMN1; SMN2
SCHEMBL18559056 0.83 LMNA (1.00) LMNAHTTALDH1A1USP2SMN1; SMN2
SCHEMBL13739253 0.82 ALDH1A1 (0.74) LMNAHTTALDH1A1USP2SMN1; SMN2
SCHEMBL19566993 0.82 LMNA (0.77) LMNAHTTALDH1A1USP2SMN1; SMN2
SCHEMBL13737637 0.82 KMT2A (0.75) LMNAHTTALDH1A1USP2RECQL
SCHEMBL19549066 0.80 LMNA (0.75) LMNAHTTALDH1A1USP2SMN1; SMN2
SCHEMBL18559116 0.80 KMT2A (0.70) LMNAHTTALDH1A1USP2RECQL

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 LMNA 4714/4885HTT 3745/4885ALDH1A1 3579/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 LMNA 4708/4885HTT 3893/4885ALDH1A1 3568/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 LMNA 4714/4885HTT 3745/4885ALDH1A1 3579/4885
US-10188105-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 LMNA 4745/4885HTT 3893/4885ALDH1A1 3533/4885
US-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 LMNA 4708/4885HTT 3893/4885ALDH1A1 3568/4885

“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.

Send feedback