SCHEMBL23487458

SCHEMBL23487458

Clc1cc(CCc2cncnc2)cc(CCc2cncnc2)c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.35
CYP19A1 P11511 7/20 0.33
IDO1 P14902 2/20 0.32
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
CACNA1B Q00975 1/20 0.31
TSHR P16473 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL13662376 0.80 ATM (0.35) NOS1NOS2CYP2D6
SCHEMBL23487457 0.75 CHRNA7 (0.55) CYP2D6
SCHEMBL2355446 0.74 TSHR (0.57) DAOIDO1TSHRCYP3A4
SCHEMBL10452253 0.72 CYP11B1 (0.31)
SCHEMBL23487651 0.71 NOS1 (0.35) NOS1NOS2
SCHEMBL1597778 0.70
SCHEMBL12644452 0.68 PTGS1 (0.52)
SCHEMBL28778932 0.67 CACNA1B (0.42) CYP19A1IDO1CACNA1B
SCHEMBL28778933 0.67 PNMT (0.48) DAOCYP19A1IDO1CYP3A4
SCHEMBL23487472 0.67 MAOA (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230056324-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2023-02-23 US disclosed
WO-2021110720-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2021-06-10 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-20230056324-A1 METAL COMPLEXES MCU, IMMT, SOD1 DAO 4103/4885CYP19A1 4136/4885IDO1 691/4885

“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.