SCHEMBL347937

SCHEMBL347937

Cc1ccc(-n2nc(Br)c3ccc(C(=O)O)cc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 5/20 0.43
RORC P51449 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ESR1 P03372 1/20 0.43
ALDH1A1 P00352 2/20 0.43
FFAR4 Q5NUL3 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 1/20 0.42
POLB P06746 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
RARG P13631 1/20 0.41
KHK P50053 1/20 0.40
MITF O75030 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL20167493 0.86 DGAT2 (0.44) MEN1KMT2A
SCHEMBL348252 0.86 TDP1 (0.46) MEN1KMT2AKDM4EESR1ALDH1A1
SCHEMBL348571 0.77 DGAT2 (0.55) RORCESR1RARG
SCHEMBL31632926 0.77 HCAR3 (0.46) SLC22A12KDM4EALDH1A1
SCHEMBL348428 0.76 DGAT2 (0.62) MEN1KMT2A
SCHEMBL347794 0.75 TDP1 (0.46) RORCMEN1KMT2AKDM4EALDH1A1
SCHEMBL346757 0.74 DGAT2 (0.53) SMN1; SMN2
SCHEMBL20166406 0.74 DGAT2 (0.47)
SCHEMBL31233788 0.73 RAB9A (0.43) MEN1KMT2AKDM4EESR1ALDH1A1
SCHEMBL7379243 0.70 SLC22A12 (0.52) SLC22A12RORCMEN1KMT2ARARG

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 SLC22A12 2390/4885RORC 2239/4885MEN1 4860/4885

“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.