SCHEMBL4148366

SCHEMBL4148366

O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)c1ccc(Cl)c(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 1.00
MAPT P10636 10/20 1.00
TSHR P16473 9/20 1.00
POLB P06746 4/20 1.00
MEN1 O00255 2/20 1.00
KMT2A Q03164 2/20 1.00
ATM Q13315 1/20 1.00
HPGD P15428 5/20 0.77
NPC1 O15118 1/20 0.77
USP2 O75604 5/20 0.77
CDC25A P30304 1/20 0.73
CDC25B P30305 1/20 0.73
KDM4E B2RXH2 3/20 0.67
LMNA P02545 3/20 0.63
PKM P14618 3/20 0.63
HSD17B10 Q99714 3/20 0.63
ALOX12 P18054 1/20 0.62
TP53 P04637 1/20 0.60
ALOX15 P16050 1/20 0.60
MAPK1 P28482 1/20 0.60

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
SCHEMBL18556565 0.90 ALDH1A1 (0.84) ALDH1A1MAPTTSHRPOLBMEN1
SCHEMBL18556563 0.88 MAPT (1.00) ALDH1A1MAPTTSHRPOLBMEN1
SCHEMBL18556560 0.87 ALDH1A1 (1.00) ALDH1A1MAPTTSHRPOLBMEN1
SCHEMBL15983433 0.87 TSHR (1.00) ALDH1A1MAPTTSHRPOLBMEN1
SCHEMBL18556566 0.84 ALDH1A1 (0.80) ALDH1A1MAPTTSHRPOLBMEN1
SCHEMBL18556569 0.77 ALDH1A1 (1.00) ALDH1A1MAPTTSHRPOLBMEN1
SCHEMBL18556561 0.77 HSD17B10 (0.77) ALDH1A1MAPTTSHRPOLBMEN1
SCHEMBL15983417 0.77 ALDH1A1 (1.00) ALDH1A1MAPTTSHRPOLBMEN1
SCHEMBL4207057 0.77 ALDH1A1 (0.82) ALDH1A1MAPTTSHRPOLBMEN1
SCHEMBL18559232 0.76 USP2 (0.79) ALDH1A1MAPTTSHRPOLBMEN1

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 9 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-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
US-9578881-B2 Compositions for inhibition of insect sensing VANDERBILT UNIVERSITY (US) 2017-02-28 US disclosed
WO-2009078587-A2 COMPOSITION FOR PREVENTION AND TREATMENT OF CANCER CONTAINING TRIAZOLYL-THIO-ETHANONE DERIVATIVES INHIBITING ACTIVITY OF PROTEIN PHOSPHATASES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2009-06-25 WO 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 3579/4885MAPT 1741/4885TSHR 2971/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3568/4885MAPT 2086/4885TSHR 3088/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3579/4885MAPT 1741/4885TSHR 2971/4885
US-10188105-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3533/4885MAPT 2002/4885TSHR 2976/4885
US-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3568/4885MAPT 2086/4885TSHR 3088/4885

“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.