SCHEMBL24257734

SCHEMBL24257734

Cc1c(-c2cnc(-c3ccccc3)s2)cnc(C#N)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.41
NPC1 O15118 7/20 0.39
RAB9A P51151 7/20 0.39
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 5/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
LMNA P02545 3/20 0.39
NFKB1 P19838 3/20 0.39
NFKB2 Q00653 3/20 0.39
RELA Q04206 3/20 0.39
HPGDS O60760 2/20 0.39
HSD17B1 P14061 3/20 0.39
HSD17B2 P37059 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPT P10636 4/20 0.37
HPGD P15428 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
KMT2A Q03164 1/20 0.36
S1PR1 P21453 1/20 0.36

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
SCHEMBL24257507 0.85 ALDH1A1 (0.40) PTPN1NPC1RAB9AALDH1A1KDM4E
SCHEMBL24257738 0.79 HDAC6 (0.43) PTPN1NPC1RAB9AALDH1A1KDM4E
Glycine SCHEMBL29248953 0.73 HDAC6 (0.38) PTPN1NPC1RAB9AALDH1A1KDM4E
SCHEMBL30546857 0.73 CDC7 (0.48) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL24257508 0.71 EGLN1 (0.49)
Glycine SCHEMBL30546838 0.69 CDC7 (0.44) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL24257576 0.68 TRPM8 (0.41) ALDH1A1KDM4ESMN1; SMN2LMNAHPGD
SCHEMBL185735 0.67 HSD17B1 (0.61) PTPN1NPC1RAB9AALDH1A1KDM4E
SCHEMBL10013448 0.66 HSD17B1 (0.61) PTPN1NPC1RAB9AALDH1A1KDM4E
Bromide SCHEMBL11463626 0.66 HSD17B1 (0.59) PTPN1NPC1RAB9AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295110-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE AKEBIA THERAPEUTICS, INC. (US) 2023-09-21 US disclosed
US-20230295110-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE AKEBIA THERAPEUTICS, INC. (US) 2023-09-21 US disclosed
EP-4196466-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE Akebia Therapeutics Inc. (US) 2023-06-21 EP disclosed
WO-2022036188-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE AKEBIA THERAPEUTICS, INC. (US) 2022-02-17 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-20230295110-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE HIF1AN, EGLN3, PHF20 PTPN1 601/4885NPC1 4011/4885RAB9A 739/4885

“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.