SCHEMBL366472

SCHEMBL366472

Cc1noc(C(C)NC(=O)c2cc3c(-c4ccc(F)cc4F)nn(C(C)C(C)O)c3s2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.42
MAPT P10636 6/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TSHR P16473 2/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
RIPK1 Q13546 1/20 0.39
DPP4 P27487 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
ACKR3 P25106 2/20 0.37
STAT3 P40763 1/20 0.37
LMNA P02545 1/20 0.36
KCNT1 Q5JUK3 1/20 0.36
GAA P10253 1/20 0.35
GABRA5 P31644 1/20 0.35

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 1.00 DGAT2 (0.42) DGAT2MAPTTP53ALDH1A1KDM4E
SCHEMBL347398 0.86 ALDH1A1 (0.41) DGAT2MAPTTP53ALDH1A1KDM4E
SCHEMBL348425 0.84 DGAT2 (0.39) DGAT2MAPTTP53ALDH1A1KDM4E
SCHEMBL346715 0.81 LMNA (0.44) MAPTTP53ALDH1A1KDM4EHPGD
SCHEMBL346256 0.80 STAT3 (0.38) DGAT2MAPTTP53RIPK1DPP4
SCHEMBL347970 0.78 KDM4E (0.42) MAPTTP53ALDH1A1KDM4EHPGD
SCHEMBL13186846 0.70 MAPT (0.44) MAPTTP53ALDH1A1KDM4EHPGD
SCHEMBL3070727 0.68 WDR5 (0.38) DGAT2RIPK1DPP4DPP7KCNT1
SCHEMBL21048472 0.68 WDR5 (0.38) DGAT2RIPK1DPP4DPP7KCNT1
SCHEMBL19773438 0.68 KDM4E (0.41) MAPTTP53ALDH1A1KDM4EHPGD

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-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

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 DGAT2 3948/4885MAPT 4011/4885TP53 4726/4885

“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.