SCHEMBL15802471

SCHEMBL15802471

N[C@@H](CCc1ccc(O)c2ccccc12)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 2/20 0.46
HIF1A Q16665 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
MPO P05164 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
KIF11 P52732 4/20 0.44
SLC7A5 Q01650 3/20 0.43
TDP1 Q9NUW8 2/20 0.42
LTA4H P09960 1/20 0.42
POLB P06746 1/20 0.42
PTGS1 P23219 2/20 0.42
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42
XIAP P98170 1/20 0.42
IDO1 P14902 4/20 0.42

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
Bromide SCHEMBL19971055 0.98 KMT2A (0.44) KMT2AKDM4EHIF1AMEN1LMNA
Bromide SCHEMBL19971054 0.98 KMT2A (0.44) KMT2AKDM4EHIF1AMEN1LMNA
SCHEMBL15802533 0.85 IDO1 (0.40) KMT2AKDM4EHIF1AMEN1LMNA
SCHEMBL25184594 0.84 KDM4E (0.59) KMT2AKDM4EHIF1AMEN1LMNA
SCHEMBL5286711 0.84 KDM4E (0.59) KMT2AKDM4EHIF1AMEN1LMNA
SCHEMBL15804495 0.84 IDO1 (0.43) KMT2AMEN1KIF11LTA4HIDO1
SCHEMBL19971042 0.84 IDO1 (0.43) KMT2AMEN1KIF11LTA4HIDO1
SCHEMBL31370243 0.80 TAAR1 (0.50) KMT2AKDM4EHIF1AMEN1LMNA
SCHEMBL15802473 0.80 HIF1A (0.52) KMT2AKDM4EHIF1AMEN1LMNA
SCHEMBL5324039 0.79 SLC1A3 (0.54) KMT2AKIF11TDP1GRIK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362187-A1 3,5-DIAMINO-6-CHLORO-N-(N-(4-PHENYLBUTYL)CARBAMIMIDOYL) PYRAZINE-2- CARBOXAMIDE COMPOUNDS PARION SCIENCES, INC. (US) 2017-12-21 US disclosed
US-9695134-B2 3,5-diamino-6-chloro-N-(n-(4-phenylbutyl)carbamimidoyl)pyrazine-2-carboxamide compounds PARION SCIENCES, INC. (US) 2017-07-04 US disclosed
US-20150299142-A1 3,5-DIAMINO-6-CHLORO-N-(4-PHENYLBUTYL)CARBAMIMIDOYL) PYRAZINE-2-CARBOXAMIDE COMPOUNDS PARION SCIENCES, INC. (US) 2015-10-22 US disclosed
US-9029382-B2 3,5-diamino-6-chloro-N-(N-(4-phenylbutyl)carbamimidoyl) pyrazine-2-carboxamide compounds PARION SCIENCES, INC. (US) 2015-05-12 US disclosed
WO-2014099673-A1 3,5-DIAMINO-6-CHLORO-N-(N-(4-PHENYLBUTYL)CARBAMIMIDOYL) PYRAZINE-2- CARBOXAMIDE COMPOUNDS PARION SCIENCES, INC. (US) 2014-06-26 WO disclosed
US-20140170244-A1 3,5-DIAMINO-6-CHLORO-N-(N-(4-PHENYLBUTYL)CARBAMIMIDOYL) PYRAZINE-2- CARBOXAMIDE COMPOUNDS PARION SCIENCES, INC. (US) 2014-06-19 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 (3 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-20140170244-A1 3,5-DIAMINO-6-CHLORO-N-(N-(4-PHENYLBUTYL)CARBAMIMIDOYL) PYRAZINE-2- CARBOXAMIDE COMPOUNDS CFTR, SCNN1B, SCN5A KMT2A 2423/4885KDM4E 3061/4885HIF1A 3134/4885
US-20150299142-A1 3,5-DIAMINO-6-CHLORO-N-(4-PHENYLBUTYL)CARBAMIMIDOYL) PYRAZINE-2-CARBOXAMIDE COMPOUNDS CFTR, SCNN1B, SCN5A KMT2A 2335/4885KDM4E 2970/4885HIF1A 3096/4885
US-20170362187-A1 3,5-DIAMINO-6-CHLORO-N-(N-(4-PHENYLBUTYL)CARBAMIMIDOYL) PYRAZINE-2- CARBOXAMIDE COMPOUNDS CFTR, SCNN1B, SCN5A KMT2A 2423/4885KDM4E 3061/4885HIF1A 3134/4885

“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.