SCHEMBL2861535

SCHEMBL2861535

Brc1ccc(Cc2cc3ccccc3o2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.50
AGXT P21549 1/20 0.50
HTR2B P41595 3/20 0.40
HTR1A P08908 1/20 0.40
CYP19A1 P11511 1/20 0.39
MAOB P27338 3/20 0.39
MAOA P21397 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADRA2A P08913 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
GLS O94925 1/20 0.36
SLC5A2 P31639 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
F2RL3 Q96RI0 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL1680581 0.81 LOXL2 (0.50) LOXL2AGXTHTR2BHTR1ACYP19A1
SCHEMBL2870978 0.81 LOXL2 (0.50) LOXL2AGXTHTR2BHTR1ACYP19A1
SCHEMBL14075637 0.78 LOXL2 (0.69) LOXL2AGXTHTR2BHTR1ACYP19A1
SCHEMBL2863490 0.75 AGXT (0.44) LOXL2AGXTHTR2BHTR1ACYP19A1
SCHEMBL4156335 0.75 AGXT (0.48) LOXL2AGXTMAOBSMN1; SMN2ESR1
SCHEMBL2872113 0.75 AGXT (0.44) LOXL2AGXTHTR2BHTR1ACYP19A1
SCHEMBL29087527 0.73 LOXL2 (0.53) LOXL2AGXTHTR2BHTR1ACYP19A1
SCHEMBL28921514 0.73 LOXL2 (0.53) LOXL2AGXTHTR2BHTR1ACYP19A1
SCHEMBL30100825 0.73 LOXL2 (0.53) LOXL2AGXTHTR2BHTR1ACYP19A1
SCHEMBL7806512 0.72 LOXL2 (0.60) LOXL2AGXTHTR2BHTR1ACYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691898-B2 Phosphonic acid derivatives and the treating agents of diseases related hyperphosphatemia KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2010-04-06 US disclosed
US-20080119441-A1 Phosphonic Acid Derivatives and the Treating Agents of Diseases Related Hyperphosphatemia KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
EP-1813620-A1 PHOSPHONIC ACID DERIVATIVE AND THERAPEUTIC AGENT FOR DISEASE IN WHICH HIGH PHOSPHATE LEVEL IN BLOOD PARTICIPATES Kotobuki Pharmaceutical Co., Ltd. (JP) 2007-08-01 EP 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-20080119441-A1 Phosphonic Acid Derivatives and the Treating Agents of Diseases Related Hyperphosphatemia NR0B1, NR0B2, PTH1R LOXL2 4648/4885AGXT 3287/4885HTR2B 1655/4885

“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.