SCHEMBL347398

SCHEMBL347398

Cc1noc([C@@H](C)NC(=O)c2cc3c(-c4ccc(F)cc4F)nn(CCO)c3s2)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 3/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 9/20 0.41
TP53 P04637 3/20 0.41
DGAT2 Q96PD7 1/20 0.37
RIPK1 Q13546 1/20 0.37
LMNA P02545 1/20 0.37
KCNT1 Q5JUK3 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
GABRA5 P31644 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
SCHEMBL348103 0.86 DGAT2 (0.42) ALDH1A1HPGDKDM4ETSHRHSD17B10
SCHEMBL366472 0.86 DGAT2 (0.42) ALDH1A1HPGDKDM4ETSHRHSD17B10
SCHEMBL13186846 0.85 MAPT (0.44) ALDH1A1HPGDKDM4ETSHRHSD17B10
SCHEMBL19773438 0.82 KDM4E (0.41) ALDH1A1HPGDKDM4ETSHRHSD17B10
SCHEMBL348425 0.82 DGAT2 (0.39) ALDH1A1HPGDKDM4ETSHRHSD17B10
SCHEMBL346256 0.78 STAT3 (0.38) MAPTTP53DGAT2RIPK1GABRA5
SCHEMBL347406 0.77 DGAT2 (0.42) DGAT2RIPK1KCNT1GABRA5
SCHEMBL346715 0.66 LMNA (0.44) ALDH1A1HPGDKDM4ETSHRHSD17B10
SCHEMBL347970 0.66 KDM4E (0.42) ALDH1A1HPGDKDM4ETSHRHSD17B10
SCHEMBL13092739 0.66 KCNT1 (0.41) DGAT2RIPK1KCNT1GABRA5

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-2411001-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2018-01-17 EP disclosed
US-8569512-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2013-10-29 US disclosed
US-8569512-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2013-10-29 US disclosed
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2012-01-19 US disclosed
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2012-01-19 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-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 ALDH1A1 2538/4885HPGD 2178/4885KDM4E 4010/4885

“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.