SCHEMBL19730389

SCHEMBL19730389

O=C(Cc1c(-c2ccccc2)nc2ccc(Cl)cn12)NC(Cc1ccc(O)c(O)c1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GABRA2 P47869 2/20 0.51
▸ GABRB2 P47870 2/20 0.51
▸ SLC2A2 P11168 2/20 0.46
▸ TSPO P30536 2/20 0.44
▸ NR1I2 O75469 1/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ ALB P02768 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ OPRM1 P35372 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43

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
SCHEMBL19730398 0.96 GABRA2 (0.49) GABRA2GABRB2SLC2A2TSPONR1I2
SCHEMBL19730391 0.87 — —
SCHEMBL19730397 0.85 SLC2A2 (0.55) GABRA2GABRB2SLC2A2TSPONR1I2
SCHEMBL19730395 0.85 GABRA2 (0.52) GABRA2GABRB2SLC2A2
SCHEMBL19730396 0.85 TSPO (0.50) TSPO
SCHEMBL19730390 0.78 TSPO (0.47) TSPO
SCHEMBL1430336 0.77 GABRA2 (0.63) GABRA2GABRB2SLC2A2TSPONR1I2
SCHEMBL19738665 0.75 SLC2A2 (0.51) GABRA2GABRB2SLC2A2TSPONR1I2
SCHEMBL19730399 0.74 TSPO (0.53) TSPO
SCHEMBL19730400 0.73 — —

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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