SCHEMBL4337117

SCHEMBL4337117

NCc1ccc(OC(F)F)nc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.49
▸ HCRTR1 O43613 2/20 0.41
▸ HCRTR2 O43614 2/20 0.41
▸ LOXL2 Q9Y4K0 4/20 0.35
▸ FFAR1 O14842 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ PARP2 Q9UGN5 1/20 0.34
▸ MAOB P27338 2/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ LOX P28300 1/20 0.33
▸ PTGES O14684 3/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ RRM2 P31350 1/20 0.33
▸ ADRB2 P07550 1/20 0.32

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
SCHEMBL29658850 1.00 DAO (0.49) DAOHCRTR1HCRTR2LOXL2FFAR1
Hydrochloric Acid SCHEMBL26602964 0.98 DAO (0.48) DAOHCRTR1HCRTR2LOXL2FFAR1
SCHEMBL30873233 0.81 DAO (0.49) DAOHCRTR1HCRTR2PARP1PARP2
SCHEMBL3939368 0.81 ALDH1A1 (0.45) SCN9A
SCHEMBL29738527 0.81 DAO (0.52) DAOHCRTR1HCRTR2PARP1PARP2
SCHEMBL16647726 0.81 DAO (0.49) DAOHCRTR1HCRTR2PARP1PARP2
SCHEMBL7992234 0.81 DAO (0.52) DAOHCRTR1HCRTR2PARP1PARP2
SCHEMBL4542012 0.81 DAO (0.49) DAOHCRTR1HCRTR2PARP1PARP2
SCHEMBL4541422 0.81 DAO (0.49) DAOHCRTR1HCRTR2PARP1PARP2
SCHEMBL30583901 0.81 DAO (0.49) DAOHCRTR1HCRTR2PARP1PARP2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240173307-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2024-05-30 — — US disclosed
US-11939320-B2 Modulators of the integrated stress pathway ABBVIE INC. (US) 2024-03-26 — — US disclosed
WO-2023154291-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 — — WO disclosed
EP-3704089-B1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2023-07-19 — — EP disclosed
US-20210393599-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2021-12-23 — — US disclosed
US-20210171508-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2021-06-10 — — US disclosed
EP-3704089-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY Calico Life Sciences LLC (US) 2020-09-09 — — EP disclosed
EP-3704115-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY Calico Life Sciences LLC (US) 2020-09-09 — — EP disclosed
WO-2009145720-A1 ISOINDOLINE DERIVATIVES COMPRISING ADDITIONAL HETEROCYCLIC GROUPS AND THEIR USE IN THE TREATMENT OF PAIN DISORDERS ASTRAZENECA AB (SE) 2009-12-03 — — WO disclosed
WO-2009145720-A1 ISOINDOLINE DERIVATIVES COMPRISING ADDITIONAL HETEROCYCLIC GROUPS AND THEIR USE IN THE TREATMENT OF PAIN DISORDERS ASTRAZENECA AB (SE) 2009-12-03 — — 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 (4 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-20240173307-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 DAO 4301/4885HCRTR1 2471/4885HCRTR2 2374/4885
US-11939320-B2 Modulators of the integrated stress pathway ATF4, ATF1, DDIT3 DAO 4301/4885HCRTR1 2471/4885HCRTR2 2374/4885
US-20210393599-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 DAO 4301/4885HCRTR1 2471/4885HCRTR2 2374/4885
US-20210171508-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 DAO 4301/4885HCRTR1 2471/4885HCRTR2 2374/4885

“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.

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