Sugi Predict

Sugi Predict / Compounds / SCHEMBL13831990

SCHEMBL13831990

SCHEMBL13831990

O=C(Nc1ccccc1)C1(Sc2nnc(-c3cccnc3)n2-c2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.59
▸ KMT2A Q03164 4/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.51
▸ TSHR P16473 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ MAPK1 P28482 2/20 0.49
▸ MAPT P10636 3/20 0.48
▸ ABL1 P00519 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ RIN1 Q13671 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ TP53 P04637 1/20 0.45
▸ MDM2 Q00987 1/20 0.45
▸ PTK2 Q05397 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43

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
SCHEMBL13831896 0.91 TP53 (0.53) HPGDKMT2AMEN1GAAALDH1A1
SCHEMBL13831346 0.89 PTK2 (0.55) HPGDKMT2AMEN1ALDH1A1TSHR
SCHEMBL13831715 0.85 HPGD (0.45) HPGDKMT2AMEN1GAAALDH1A1
SCHEMBL13831122 0.85 HPGD (0.47) HPGDKMT2AMEN1GAAALDH1A1
SCHEMBL13831938 0.84 ALDH1A1 (0.58) HPGDKMT2AMEN1GAAALDH1A1
SCHEMBL15983362 0.82 TP53 (0.49) KMT2AMEN1GAAALDH1A1TSHR
SCHEMBL15983331 0.82 TP53 (0.45) HPGDKMT2AMEN1TSHRKDM4E
SCHEMBL13832231 0.82 ATM (0.48) KMT2AMEN1ALDH1A1TSHRPOLB
SCHEMBL13831947 0.81 ALDH1A1 (0.56) HPGDKMT2AMEN1GAAALDH1A1
SCHEMBL13831978 0.81 ALDH1A1 (0.56) HPGDKMT2AMEN1GAAALDH1A1

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 16 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
EP-2704575-B1 COMPOSITION FOR INHIBITION OF INSECT SENSING UNIV VANDERBILT (US) 2020-06-03 — — EP disclosed
EP-3653054-A1 COMPOSITION FOR INHIBITION OF INSECT SENSING Vanderbilt University (US) 2020-05-20 — — EP 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-20170208809-A1 Compositions for Inhibition of Insect Sensing VANDERBILT UNIVERSITY 2017-07-27 — — US disclosed
US-20170208809-A1 Compositions for Inhibition of Insect Sensing VANDERBILT UNIVERSITY 2017-07-27 — — 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
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING VANDERBILT UNIVERSITY (US) 2014-08-28 — — US disclosed
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING VANDERBILT UNIVERSITY (US) 2014-08-28 — — US disclosed
WO-2012154403-A9 COMPOSITIONS FOR INHIBITION OF INSECT SENSING VANDERBILT UNIVERSITY (US) 2013-01-03 — — WO disclosed
WO-2012154403-A2 COMPOSITION FOR INHIBITION OF INSECT SENSING VANDERBILT UNIVERSITY (US) 2012-11-15 — — 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 (7 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 HPGD 4384/4885KMT2A 4200/4885MEN1 1675/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 HPGD 4292/4885KMT2A 4243/4885MEN1 1871/4885
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING OR51E2, TRPA1, OR10J3 HPGD 4366/4885KMT2A 4216/4885MEN1 1662/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 HPGD 4384/4885KMT2A 4200/4885MEN1 1675/4885
US-10188105-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 HPGD 4263/4885KMT2A 4264/4885MEN1 1865/4885
US-20170208809-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 HPGD 4263/4885KMT2A 4264/4885MEN1 1865/4885
US-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 HPGD 4292/4885KMT2A 4243/4885MEN1 1871/4885

“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.