SCHEMBL19730395

SCHEMBL19730395

O=C(Cc1c(-c2ccccc2)nc2ccc(Cl)cn12)NCCc1ccc(O)c(O)c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GABRA2 P47869 2/20 0.52
▸ GABRB2 P47870 2/20 0.52
▸ SLC2A2 P11168 1/20 0.47
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ HSD17B2 P37059 1/20 0.46
▸ ERCC1 P07992 1/20 0.46
▸ ERCC4 Q92889 1/20 0.46
▸ TRPV1 Q8NER1 1/20 0.46

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
SCHEMBL19730392 0.94 GABRA2 (0.53) GABRA2GABRB2ERCC1ERCC4
SCHEMBL19730400 0.88 — —
SCHEMBL19730389 0.85 GABRA2 (0.51) GABRA2GABRB2SLC2A2
SCHEMBL19730393 0.83 TSPO (0.52) —
SCHEMBL19730398 0.81 GABRA2 (0.49) GABRA2GABRB2SLC2A2
SCHEMBL1430336 0.78 GABRA2 (0.63) GABRA2GABRB2SLC2A2
SCHEMBL19730397 0.76 SLC2A2 (0.55) GABRA2GABRB2SLC2A2
SCHEMBL19730391 0.72 — —
SCHEMBL8150 0.71 GABRA2 (0.70) GABRA2GABRB2SLC2A2
SCHEMBL2933100 0.70 SLC2A2 (0.86) GABRA2GABRB2SLC2A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10202376-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-02-12 — — US disclosed
US-20170362223-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-21 — — US disclosed
US-20170362223-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-21 — — 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 (2 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-10202376-B2 Heterocyclic compound GRIN2A, GRIN1, GRIN2B GABRA2 39/4885GABRB2 61/4885SLC2A2 4177/4885
US-20170362223-A1 HETEROCYCLIC COMPOUND GRIN2A, GRIN1, GRIN2B GABRA2 39/4885GABRB2 61/4885SLC2A2 4177/4885

“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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