SCHEMBL27423391

SCHEMBL27423391

COc1cccc(-n2cc(CNC(=O)N(C)C)nn2)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.54
AMY1A P0DUB6 1/20 0.52
APP P05067 2/20 0.51
CA9 Q16790 3/20 0.50
CA2 P00918 2/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA5A P35218 1/20 0.48
NOTUM Q6P988 2/20 0.48
BCHE P06276 1/20 0.47
RXRA P19793 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2B Q13224 1/20 0.47

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
SCHEMBL23346078 0.76 NOTUM (0.60) KDM1AAMY1ACA9CA2CA12
SCHEMBL27428598 0.76 GLS (0.42) KDM1AAMY1A
SCHEMBL27423393 0.76 GLS (0.42) KDM1AAMY1A
SCHEMBL28167508 0.75 CA9 (0.57) KDM1AAMY1ACA9CA2CA12
SCHEMBL31753264 0.72 KDM1A (0.53) KDM1AAMY1ACA9CA2CA12
SCHEMBL27423365 0.71 P2RX7 (0.61) KDM1AAPPCA9CA2CA12
SCHEMBL17454486 0.71 BCHE (0.53) CA9CA2CA12CA1CA5A
SCHEMBL15578485 0.71 STIM1 (0.54) CA9CA2CA5ANOTUMBCHE
SCHEMBL27430548 0.71 CA1 (0.58) CA9CA2CA12CA1RXRA
SCHEMBL16238217 0.71 MAOA (0.54) NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208923-A1 SMALL MOLECULE INHIBITORS OF MAMMALIAN SLC6A19 FUNCTION JNANA THERAPEUTICS INC. 2024-06-27 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-20240208923-A1 SMALL MOLECULE INHIBITORS OF MAMMALIAN SLC6A19 FUNCTION SLC18A2, SLC6A19, SLC1A1 KDM1A 4524/4885AMY1A 4553/4885APP 2312/4885

“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.