SCHEMBL940408

SCHEMBL940408

Cc1cccc2n[c]oc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.34
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
NQO2 P16083 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
PARP1 P09874 2/20 0.31
TSHR P16473 2/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
ACHE P22303 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL937991 0.75 GABRP (0.33) PARP1
SCHEMBL940307 0.75 PSMB8 (0.41) ELANETDP1CYP1A2CYP2A6ALDH1A1
SCHEMBL941140 0.75 NQO2 (0.42) ELANEMEN1MAPK1KMT2ACYP2A6
SCHEMBL7182976 0.73 ELANE (0.53) ELANE
SCHEMBL7976059 0.71 NUDT1 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL23932644 0.67 C1R (0.35) ELANEL3MBTL1ALDH1A1
SCHEMBL195998 0.67 ELANE (0.34) ELANECYP1A2CYP2A6ALDH1A1CA1
SCHEMBL5708068 0.64 NPC1 (0.35) MEN1MAPK1KMT2ACYP1A2ALDH1A1
SCHEMBL2223 0.64
SCHEMBL5542790 0.64 ELANE (0.56) ELANEKMT2AALDH1A1MAOAMAOB

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 26 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-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
US-7875606-B2 Herbicides; selectivity between crops and weeds IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2011-01-25 US disclosed
EP-1364946-B1 ISOXAZOLINE DERIVATIVE AND HERBICIDE COMPRISING THE SAME AS ACTIVE INGREDIENT KUMIAI CHEMICAL INDUSTRY CO (JP) 2010-11-24 EP disclosed
EP-1405853-B1 ISOXAZOLINE DERIVATIVES AND HERBICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2010-11-03 EP disclosed
EP-2186410-A1 Isoxazoline derivative and herbicide comprising the same as active ingredient KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-05-19 EP 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
WO-2003087068-A1 PROCESS FOR PREPARING HETEROARYL AND UNSATURATED HETEROCYCLOALKYLMAGNESIUM REAGENTS AND USES AXYS PHARMACEUTICALS, INC. (US) 2003-10-23 WO 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
US-3979369-A DIENE POLYMER MONSANTO COMPANY (US) 1976-09-07 US disclosed
US-3974170-A SULFONATES, SULFINATES MONSANTO COMPANY (US) 1976-08-10 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 (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 ELANE 2705/4885MEN1 3309/4885MAPK1 325/4885

“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.