SCHEMBL415272

SCHEMBL415272

Cc1ncc(-c2nn(-c3ccc(F)cn3)cc2C(=O)O)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.37
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
ALDH1A1 P00352 6/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
GRIA1 P42261 1/20 0.34
LMNA P02545 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 2/20 0.33

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
SCHEMBL416852 0.86 NPC1 (0.41) TRPV4CA12CA9ALDH1A1KDM4E
SCHEMBL415320 0.78 ALDH1A1 (0.51) ALDH1A1L3MBTL1KDM4EMEN1MAPT
SCHEMBL16433529 0.75 DGAT2 (0.35) TRPV4GRIA1CNR1CNR2EGLN1
SCHEMBL416953 0.75 DGAT2 (0.43) TRPV4CNR1CNR2EGLN1KIT
SCHEMBL10104595 0.71 ALDH1A1 (0.46) ALDH1A1L3MBTL1KDM4EMEN1USP2
SCHEMBL415486 0.69 MAPT (0.64) CA12CA1CA2CA9ALDH1A1
SCHEMBL15519555 0.67 KMT2A (0.39) KMT2AGRIA1LMNACNR1CNR2
SCHEMBL15180441 0.66 ALKBH1 (0.48) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL415894 0.65 NPC1 (0.44) ALDH1A1L3MBTL1KDM4EPOLBMAPT
SCHEMBL15167466 0.65 MAPK1 (0.43) TRPV4ALDH1A1KDM4EMAPTTDP1

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
EP-2410858-B1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2016-09-07 EP disclosed
US-8946231-B2 P2X3, receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2015-02-03 US disclosed
US-20120021074-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2012-01-26 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-20120021074-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 TRPV4 27/4885CA12 4766/4885CA1 3905/4885

“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.