SCHEMBL20775355

SCHEMBL20775355

Brc1ccc(OCC2CCC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.45
EP300 Q09472 3/20 0.45
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
GABRA5 P31644 1/20 0.38
PARP15 Q460N3 1/20 0.37
PARP10 Q53GL7 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
HSD11B1 P28845 1/20 0.37
MCHR1 Q99705 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HCRTR2 O43614 2/20 0.36
LSS P48449 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
SCHEMBL1929309 0.97 KDM1A (0.45) KDM1AEP300NPC1ALDH1A1RAB9A
SCHEMBL1390734 0.93 KDM1A (0.47) KDM1AEP300NPC1ALDH1A1RAB9A
SCHEMBL20775288 0.85 KDM1A (0.42) KDM1AEP300GABRA5
SCHEMBL16758280 0.85 EP300 (0.61) KDM1AEP300
Hydrochloric Acid SCHEMBL15540064 0.84 EP300 (0.60) KDM1AEP300
SCHEMBL8969703 0.84 KDM1A (0.41) KDM1AEP300NPC1ALDH1A1RAB9A
SCHEMBL8969700 0.84 KDM1A (0.41) KDM1AEP300NPC1ALDH1A1RAB9A
SCHEMBL23012782 0.83 ATM (0.42) KDM1AEP300
SCHEMBL20772815 0.83 KDM1A (0.40) KDM1AEP300CCNA2CDK2CCNA1
SCHEMBL17050466 0.83 ACACB (0.46) KDM1AEP300

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 KDM1A 2940/4885EP300 1517/4885NPC1 467/4885
US-20200230123-A1 BIARYLOXY DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN3A, SCN2B KDM1A 2940/4885EP300 1517/4885NPC1 467/4885

“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.