SCHEMBL30575331

SCHEMBL30575331

CCc1nccnc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
ALOX15 P16050 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
BLM P54132 1/20 0.41
AGER Q15109 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 3/20 0.40
CYP1A2 P05177 1/20 0.40
GABRP O00591 2/20 0.39
GABRD O14764 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB1 P18505 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39

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
SCHEMBL13806634 1.00 KDM4E (0.41) KDM4EMAPTALDH1A1ALOX15L3MBTL1
SCHEMBL9691428 0.83 KDM4E (0.38) KDM4EMAPTALDH1A1ALOX15L3MBTL1
SCHEMBL1532459 0.83 ALDH1A1 (0.36) MAPTALDH1A1L3MBTL1TSHRCYP3A4
SCHEMBL31008793 0.83 TSHR (0.38) KDM4EALDH1A1TSHRKMT2AGABRP
SCHEMBL30296925 0.83 ALDH1A1 (0.36) MAPTALDH1A1L3MBTL1TSHRCYP3A4
SCHEMBL3461163 0.83 TSHR (0.38) KDM4EALDH1A1TSHRKMT2AGABRP
SCHEMBL27864943 0.81 SMN1; SMN2 (0.36) KDM4EMAPTALDH1A1L3MBTL1CYP3A4
SCHEMBL23340379 0.80 GABRP (0.45) KDM4EMAPTALDH1A1ALOX15L3MBTL1
SCHEMBL1082565 0.79 HCAR2 (0.41) KDM4EMAPTALDH1A1ALOX15L3MBTL1
SCHEMBL4973075 0.78 GSK3B (0.34) ALDH1A1KMT2ANPC1RAB9ATP53

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-20230286958-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-09-14 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-20230286958-A1 PLASMA KALLIKREIN INHIBITORS KLKB1, SERPINE1, KLK5 KDM4E 1074/4885MAPT 781/4885ALDH1A1 1701/4885

“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.