SCHEMBL20772425

SCHEMBL20772425

N#Cc1cc(Br)cc(OCc2ccc(C(=O)O)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.63
RXRB P28702 6/20 0.63
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
NR4A2 P43354 4/20 0.52
NR4A1 P22736 1/20 0.52
NR4A3 Q92570 1/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
POLB P06746 1/20 0.52
SMPD1 P17405 1/20 0.49
SRD5A2 P31213 1/20 0.49
MRGPRX4 Q96LA9 2/20 0.48
RXRG P48443 1/20 0.48
TSHR P16473 1/20 0.48
MAOB P27338 1/20 0.48
PLA2G4B P0C869 1/20 0.47

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
SCHEMBL20775328 0.86 RAB9A (0.54) RXRARXRBMEN1KMT2ARAB9A
SCHEMBL22489859 0.83 MAOB (0.63) MEN1KMT2ARAB9ASMN1; SMN2SMPD1
SCHEMBL852236 0.83 MEN1 (0.69) RXRARXRBMEN1KMT2ANR4A2
SCHEMBL22247186 0.81 SMPD1 (0.50) RXRARXRBMEN1KMT2ARAB9A
SCHEMBL14536502 0.81 MEN1 (0.73) RXRARXRBMEN1KMT2ANR4A2
SCHEMBL29010786 0.80 MEN1 (0.64) RXRARXRBMEN1KMT2ANR4A2
SCHEMBL3170471 0.80 RXRA (0.73) RXRARXRBMEN1KMT2ANR4A2
SCHEMBL200551 0.80 MAOB (0.52) RAB9ASMN1; SMN2NPC1POLBSMPD1
SCHEMBL28410872 0.80 NR4A2 (0.64) RXRARXRBMEN1KMT2ANR4A2
SCHEMBL24488963 0.78 RXRA (1.00) RXRARXRBNR4A2NR4A1NR4A3

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
US-11020381-B2 Biaryloxy derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2021-06-01 US disclosed
US-20200230123-A1 BIARYLOXY DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2020-07-23 US disclosed
EP-3676248-A1 BIARYLOXY DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc. (JP) 2020-07-08 EP disclosed
CN-111132961-A Bisaryloxy derivatives as TTX-S blockers 拉夸里亚创药株式会社 2020-05-08 CN disclosed
WO-2019045035-A1 BIARYLOXY DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2019-03-07 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 (2 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-11020381-B2 Biaryloxy derivatives as TTX-S blockers SCN1B, SCN3A, SCN2B RXRA 3448/4885RXRB 2683/4885MEN1 3938/4885
US-20200230123-A1 BIARYLOXY DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN3A, SCN2B RXRA 3448/4885RXRB 2683/4885MEN1 3938/4885

“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.