SCHEMBL454081

SCHEMBL454081

Cc1ccc(-c2cc(C(=O)O)cn3ccnc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPTLC1 O15269 1/20 0.53
TNKS O95271 1/20 0.48
XDH P47989 1/20 0.47
SLC22A12 Q96S37 1/20 0.47
HDAC6 Q9UBN7 1/20 0.44
MAP4K4 O95819 1/20 0.44
KDM4C Q9H3R0 5/20 0.41
KDM5B Q9UGL1 4/20 0.41
KDM5A P29375 3/20 0.41
KDM4A O75164 1/20 0.41
KDM2B Q8NHM5 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADH5 P11766 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MAPK1 P28482 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
SCHEMBL5351052 0.86 SPTLC1 (0.50) SPTLC1XDHSLC22A12MAP4K4KDM4C
SCHEMBL455942 0.78 MAP4K4 (0.41) MAP4K4KDM4CKDM5BKDM5AKDM4A
SCHEMBL6489509 0.78 L3MBTL1 (0.56) SPTLC1TNKSXDHSLC22A12HDAC6
SCHEMBL2129234 0.76 TNKS (0.43) SPTLC1TNKSXDHSLC22A12HDAC6
SCHEMBL9788686 0.74 TNKS (0.46) SPTLC1TNKSXDHSLC22A12HDAC6
SCHEMBL20125121 0.74 ACKR3 (0.43) SPTLC1TNKSXDHSLC22A12ALDH1A1
SCHEMBL29740285 0.73 SPTLC1 (0.39) SPTLC1XDHSLC22A12MAP4K4KDM4C
SCHEMBL25149736 0.72 L3MBTL1 (0.44) SPTLC1XDHSLC22A12HDAC6KDM4C
SCHEMBL29413476 0.72 MAOB (0.40) SPTLC1XDHSLC22A12ADH5L3MBTL1
SCHEMBL5335422 0.72 SPTLC1 (0.45) SPTLC1XDHSLC22A12HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9238647-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2016-01-19 US disclosed
EP-2410857-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2014-01-29 EP disclosed
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain MERCK SHARP & DOHME LLC 2012-03-15 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-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain P2RX3, P2RX1, P2RX2 SPTLC1 3284/4885TNKS 1729/4885XDH 2480/4885

“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.