SCHEMBL17258103

SCHEMBL17258103

CC(C(=O)O)c1cccc(-n2cnnn2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.54
KMT2A Q03164 4/20 0.53
ALDH1A1 P00352 2/20 0.50
NOTUM Q6P988 2/20 0.50
PTGS2 P35354 3/20 0.49
MAPT P10636 2/20 0.49
PTGS1 P23219 2/20 0.49
CXCR1 P25024 2/20 0.49
CXCR2 P25025 2/20 0.49
KDM4E B2RXH2 2/20 0.49
LMNA P02545 2/20 0.49
RECQL P46063 1/20 0.49
CYP3A4 P08684 1/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
PMP22 Q01453 1/20 0.49
SLC22A6 Q4U2R8 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CXCL8 P10145 1/20 0.49

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
SCHEMBL15826705 0.83 SMN1; SMN2 (0.54) TP53SMN1; SMN2KMT2AALDH1A1NOTUM
SCHEMBL10287707 0.82 ALDH1A1 (0.69) SMN1; SMN2KMT2AALDH1A1NOTUMMAPT
SCHEMBL7994431 0.82 NOTUM (0.65) TP53SMN1; SMN2KMT2AALDH1A1NOTUM
SCHEMBL29675872 0.80 TP53 (0.55) TP53SMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL29337463 0.80 NOTUM (0.53) TP53SMN1; SMN2KMT2AALDH1A1NOTUM
SCHEMBL4581826 0.80 KMT2A (0.62) TP53SMN1; SMN2KMT2APTGS2MAPT
SCHEMBL4581611 0.79 TP53 (0.53) TP53SMN1; SMN2KMT2AALDH1A1NOTUM
SCHEMBL31175292 0.76 SMN1; SMN2 (0.71) TP53SMN1; SMN2KMT2AALDH1A1NOTUM
SCHEMBL939911 0.76 SMN1; SMN2 (0.71) TP53SMN1; SMN2KMT2AALDH1A1NOTUM
SCHEMBL334915 0.75 TP53 (0.71) TP53SMN1; SMN2KMT2APTGS2KDM4E

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-9573961-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2017-02-21 US disclosed
US-20150329557-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME CORP. (US) 2015-11-19 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-20150329557-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 TP53 4838/4885SMN1; SMN2 1689/4885KMT2A 1890/4885

“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.