SCHEMBL4617430

SCHEMBL4617430

O=Cc1cc(F)c[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.41
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
CYP19A1 P11511 1/20 0.35
TSHR P16473 1/20 0.35
THPO P40225 1/20 0.35
MTOR P42345 1/20 0.35
HTT P42858 1/20 0.35
HBB P68871 1/20 0.35
PMP22 Q01453 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ERCC1 P07992 1/20 0.35
ERCC4 Q92889 1/20 0.35
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA3 P42263 1/20 0.34
GRIA4 P48058 1/20 0.34
PTPN1 P18031 1/20 0.33
DAO P14920 1/20 0.33

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
SCHEMBL1476100 0.74 DAO (0.52) ERN1GRIA1GRIA2GRIA3GRIA4
SCHEMBL9730796 0.74 MEN1 (0.38) ALDH1A1LMNAMAPTGRIA1GRIA2
SCHEMBL29950844 0.65 ERN1 (0.36) ERN1ALDH1A1LMNAMAPTCYP19A1
Hydrochloric Acid SCHEMBL28082093 0.65 KMT2A (0.36) ERN1
SCHEMBL10696940 0.64 DPYD (0.65) ALDH1A1LMNAMAPTCYP19A1TSHR
SCHEMBL48228 0.64 DPYD (0.65) ALDH1A1LMNAMAPTCYP19A1TSHR
SCHEMBL4363014 0.62 ERN1 (0.46) ERN1ALDH1A1LMNAPTPN1
SCHEMBL29957006 0.62 ERN1 (0.46) ERN1ALDH1A1LMNAPTPN1
SCHEMBL28686976 0.62 ERN1 (0.78) ERN1
SCHEMBL32662081 0.62 DAO (0.60) GRIA1GRIA2GRIA3GRIA4PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023154344-A1 2-METHYL-4',5'-DIHYDROSPIRO[PIPERIDINE-4,7'-THIENO[2,3-C]PYRAN] DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 WO disclosed
US-20080207695-A1 Thrombin Inhibiting 2-Oxo-1,2,5,6-Tetrahydropyridine Derivatives ASTRAZENECA AB (SE) 2008-08-28 US disclosed
CN-101243069-A Thrombin inhibiting 2-oxo-1,2,5,6-tetrahydropyridine derivatives ASTRAZENECA AB (SE) 2008-08-13 CN disclosed
EP-1893601-A1 THROMBIN INHIBITING 2-OXO-1, 2, 5, 6-TETRAHYDROPYRIDINE DERIVATIVES AstraZeneca AB (SE) 2008-03-05 EP disclosed
WO-2006135323-A1 THROMBIN INHIBITING 2-OXO-1, 2, 5, 6-TETRAHYDROPYRIDINE DERIVATIVES ASTRAZENECA AB (SE) 2006-12-21 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 (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-20080207695-A1 Thrombin Inhibiting 2-Oxo-1,2,5,6-Tetrahydropyridine Derivatives F2R, F2, SERPINE1 ERN1 702/4885ALDH1A1 1533/4885LMNA 2604/4885

“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.