SCHEMBL19730394

SCHEMBL19730394

CCOC(=O)C(Cc1ccc(O)c(O)c1)NC(=O)Cc1c(-c2ccccc2)nc2c(Cl)cccn12

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.41
▸ TSPO P30536 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SLC2A2 P11168 1/20 0.40

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
SCHEMBL19730390 0.90 TSPO (0.47) TSPO
SCHEMBL19730399 0.85 TSPO (0.53) TSPOCYP3A4
SCHEMBL19730391 0.79 — —
SCHEMBL19730397 0.79 SLC2A2 (0.55) TSPOCYP1A2CYP2C9CYP2C19SLC2A2
SCHEMBL19730396 0.75 TSPO (0.50) TSPOCYP3A4
SCHEMBL19730389 0.72 GABRA2 (0.51) TSPOSLC2A2
SCHEMBL19730400 0.70 — —
SCHEMBL19730398 0.69 GABRA2 (0.49) TSPOSLC2A2
SCHEMBL8744762 0.69 TP53 (0.56) TP53MEN1KMT2A
SCHEMBL11854802 0.69 LCK (0.55) TP53MEN1CYP1A2CYP3A4CYP2D6

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 TP53 3072/4885TSPO 392/4885MEN1 1231/4885
US-20170362223-A1 HETEROCYCLIC COMPOUND GRIN2A, GRIN1, GRIN2B TP53 3072/4885TSPO 392/4885MEN1 1231/4885

“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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