SCHEMBL30872248

SCHEMBL30872248

NC(N)=N/N=C/c1cccc(Cl)c1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 1.00
PPP1R15A O75807 1/20 1.00
MELK Q14680 1/20 1.00
PPP1R15B Q5SWA1 1/20 1.00
L3MBTL1 Q9Y468 1/20 1.00
GRIN2D O15399 13/20 0.74
GRIN3B O60391 13/20 0.74
GRIN1 Q05586 13/20 0.74
GRIN2A Q12879 13/20 0.74
GRIN2B Q13224 13/20 0.74
GRIN2C Q14957 13/20 0.74
GRIN3A Q8TCU5 13/20 0.74
SLC22A1 O15245 1/20 0.66
HTR1A P08908 1/20 0.66
ADRA2A P08913 1/20 0.66
CHRM1 P11229 1/20 0.66
ADRA2B P18089 1/20 0.66
ADRA2C P18825 1/20 0.66
MAOA P21397 1/20 0.66
DRD1 P21728 1/20 0.66

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
SCHEMBL29447252 1.00 NPSR1 (1.00) NPSR1PPP1R15AMELKPPP1R15BL3MBTL1
Hydrochloric Acid SCHEMBL5703102 0.98 NPSR1 (0.97) NPSR1PPP1R15AMELKPPP1R15BL3MBTL1
Acetic Acid SCHEMBL29736263 0.91 NPSR1 (0.82) NPSR1PPP1R15AMELKPPP1R15BL3MBTL1
SCHEMBL29445212 0.85 GRIN2D (1.00) NPSR1PPP1R15AMELKPPP1R15BL3MBTL1
SCHEMBL15884162 0.85 GRIN2D (1.00) NPSR1PPP1R15AMELKPPP1R15BL3MBTL1
Guanabenz SCHEMBL15390 0.79 TAAR1 (1.00) NPSR1PPP1R15AMELKPPP1R15BL3MBTL1
Guanabenz SCHEMBL219392 0.79 TAAR1 (1.00) NPSR1PPP1R15AMELKPPP1R15BL3MBTL1
Hydrochloric Acid SCHEMBL5703211 0.78 GRIN2D (0.73) NPSR1PPP1R15AMELKPPP1R15BL3MBTL1
SCHEMBL30275282 0.75 L3MBTL1 (0.59) NPSR1PPP1R15AMELKPPP1R15BL3MBTL1
SCHEMBL6847216 0.75 L3MBTL1 (0.59) NPSR1PPP1R15AMELKPPP1R15BL3MBTL1

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
WO-2024263569-A1 REGULATION OF BUTYROPHILIN 2A1 (BTN2A1) THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2024-12-26 WO disclosed
US-20240115705-A1 Regulation of Butyrophilin subfamily 3 member A1 (BTN3A1, CD277) THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2024-04-11 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 (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-20240115705-A1 Regulation of Butyrophilin subfamily 3 member A1 (BTN3A1, CD277) BTN3A1, BTF3, CD274 NPSR1 3535/4885PPP1R15A 27/4885MELK 3217/4885

“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.