SCHEMBL415320

SCHEMBL415320

O=C(O)c1cn(-c2ccc(F)cn2)nc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HSD17B10 Q99714 1/20 0.51
CDK2 P24941 6/20 0.47
ATM Q13315 1/20 0.47
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
RAB9A P51151 1/20 0.46
TSHR P16473 1/20 0.45
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
AURKA O14965 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL415486 0.87 MAPT (0.64) ALDH1A1L3MBTL1KDM4ECDK2ATM
SCHEMBL16835734 0.81 ALDH1A1 (0.59) ALDH1A1L3MBTL1KDM4EHPGDSMN1; SMN2
SCHEMBL415272 0.78 TRPV4 (0.37) ALDH1A1L3MBTL1KDM4EHPGDSMN1; SMN2
SCHEMBL4257667 0.78 ALDH1A1 (0.72) ALDH1A1L3MBTL1KDM4EHPGDSMN1; SMN2
SCHEMBL4501557 0.75 ALDH1A1 (0.82) ALDH1A1L3MBTL1KDM4EHPGDSMN1; SMN2
SCHEMBL18040451 0.75 TUBB4A (0.42) KDM4E
SCHEMBL28771391 0.73 ALDH1A1 (0.78) ALDH1A1L3MBTL1KDM4EHPGDSMN1; SMN2
SCHEMBL6678606 0.71 KDM4E (0.69) ALDH1A1L3MBTL1KDM4EHPGDSMN1; SMN2
SCHEMBL15076914 0.71 ALDH1A1 (0.89) ALDH1A1L3MBTL1KDM4EHPGDSMN1; SMN2
SCHEMBL15072191 0.70 ALDH1A1 (0.72) ALDH1A1L3MBTL1KDM4EHPGDSMN1; SMN2

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 5 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
EP-2410858-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN Merck Sharp & Dohme Corp. (US) 2012-02-01 EP disclosed
US-20120021074-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2012-01-26 US disclosed
WO-2010111059-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2010-09-30 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-20120021074-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 ALDH1A1 2798/4885L3MBTL1 3218/4885KDM4E 3919/4885

“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.