SCHEMBL347794

SCHEMBL347794

COC(=O)c1ccc2c(c1)c(Br)nn2-c1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 5/20 0.43
KDM4E B2RXH2 3/20 0.43
GAA P10253 2/20 0.43
CYP2C9 P11712 2/20 0.42
RORC P51449 2/20 0.41
KDM4A O75164 1/20 0.40
LMNA P02545 2/20 0.40
FGFR1 P11362 1/20 0.40
ELANE P08246 1/20 0.40
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
AHR P35869 1/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL348252 0.90 TDP1 (0.46) TDP1MAPTKDM4EGAAKDM4A
SCHEMBL20166406 0.79 DGAT2 (0.47)
SCHEMBL20604896 0.79 MAPT (0.44) TDP1MAPTKDM4EGAAFGFR1
SCHEMBL30987624 0.79 MAPT (0.44) TDP1MAPTKDM4EGAAFGFR1
SCHEMBL346686 0.78 DGAT2 (0.56) KMT2AMEN1
SCHEMBL732578 0.77 KDM4E (0.57) TDP1MAPTKDM4ECYP2C9KDM4A
SCHEMBL30864300 0.76 KDM4E (0.44) TDP1KDM4EGAAFGFR1ALDH1A1
SCHEMBL30204949 0.76 KDM4E (0.44) TDP1KDM4EGAAFGFR1ALDH1A1
SCHEMBL347937 0.75 SLC22A12 (0.43) KDM4ERORCALDH1A1KMT2APOLB
SCHEMBL348090 0.74 CYP11B1 (0.57) TDP1MAPTKDM4EALDH1A1RAB9A

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
EP-2411001-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN Merck Sharp & Dohme Corp. (US) 2012-02-01 EP disclosed
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2012-01-19 US disclosed
WO-2010111060-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-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 TDP1 1765/4885MAPT 4011/4885KDM4E 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.