SCHEMBL940307

SCHEMBL940307

Clc1cccc2n[c]oc12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 3/20 0.41
PSMB5 P28074 1/20 0.41
TSHR P16473 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
AHR P35869 4/20 0.32
LMNA P02545 1/20 0.31
PRMT5 O14744 1/20 0.31
PARP1 P09874 1/20 0.31
NR4A2 P43354 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ELANE P08246 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL1362013 0.77 BACE1 (0.34) CYP1A2
SCHEMBL940408 0.75 ELANE (0.34) TSHRCYP1A2CYP2A6PARP1ALDH1A1
SCHEMBL10866617 0.71 AHR (0.33) TSHRAHRALDH1A1
SCHEMBL15176346 0.71 EPHX2 (0.34) TDP1
SCHEMBL511713 0.70
SCHEMBL7974031 0.68 NPC1 (0.33)
SCHEMBL557957 0.67 LMNA (0.32) PSMB8TSHRCYP1A2CYP2A6LMNA
SCHEMBL2223 0.64
SCHEMBL5708068 0.64 NPC1 (0.35) PSMB8TSHRCYP1A2LMNAALDH1A1
SCHEMBL3954800 0.64 PSMB8 (0.59) PSMB8PSMB5CYP1A2CYP2A6AHR

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230158025-A1 GALACTOKINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH 2023-05-25 US claimed
WO-2021216812-A1 GALACTOKINASE INHIBITORS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2021-10-28 WO claimed
US-5308854-A 2-benzoxazolylalkyl substituted pyridin-2(1H)(thi)ones; AIDS MERCK & CO., INC. (US) 1994-05-03 US claimed
EP-0507488-A1 Inhibitors of HIV-1 reverse transcriptase MERCK & CO. INC. (US) 1992-10-07 EP claimed
EP-0481802-A1 Hydroxylated inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1992-04-22 EP claimed
EP-0268554-B1 1,5-DIPHENYL PYRAZOLE-3-CARBONIC-ACID DERIVATIVES FOR THE PROTECTION OF CULTURED PLANTS CIBA-GEIGY AG (CH) 1991-12-27 EP claimed
EP-0462800-A2 Inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1991-12-27 EP claimed
US-20230158025-A1 GALACTOKINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH 2023-05-25 US disclosed
WO-2021216812-A1 GALACTOKINASE INHIBITORS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2021-10-28 WO disclosed
EP-2373648-B1 SUBSTITUTED 1-(THIAZOLYL)- AND 1-(ISOTHIAZOLYL)PYRAZOL-4-YL ACETIC ACIDS, METHOD FOR THEIR PRODUCTION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER IP GMBH (DE) 2016-03-23 EP disclosed
EP-2300458-B1 SUBSTITUTED 1-(DIAZINYL) PYRAZOLE-4-YL-ACETIC ACIDS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2013-03-13 EP disclosed
US-8298994-B2 Substituted 1-(diazinyl)pyrazol-4-ylacetic acids, processes for their preparation and their use as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2012-10-30 US disclosed
US-8067611-B2 Substituted 1-(thiazolyl)-and 1-(isothiazolyl)pyrazol-4-ylacetic acids, processes for their preparation and their use as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2011-11-29 US disclosed
WO-2009152995-A1 SUBSTITUTED 1-(DIAZINYL) PYRAZOLE-4-YL-ACETIC ACIDS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2009-12-23 WO disclosed
US-7238689-B2 Isoxazoline derivative and herbicide comprising the same as active ingredient IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2007-07-03 US disclosed
EP-1405853-A1 ISOXAZOLINE DERIVATIVES AND HERBICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2004-04-07 EP disclosed
US-5308854-A 2-benzoxazolylalkyl substituted pyridin-2(1H)(thi)ones; AIDS MERCK & CO., INC. (US) 1994-05-03 US disclosed
EP-0507488-A1 Inhibitors of HIV-1 reverse transcriptase MERCK & CO. INC. (US) 1992-10-07 EP disclosed
EP-0481802-A1 Hydroxylated inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1992-04-22 EP disclosed
EP-0462800-A2 Inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1991-12-27 EP 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 (1 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-20230158025-A1 GALACTOKINASE INHIBITORS GALK1, GCK, GCKR PSMB8 3700/4885PSMB5 4591/4885TSHR 1938/4885

“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.