SCHEMBL695730

SCHEMBL695730

COc1cccc(C)c1CBr

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
CA12 O43570 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA4 P22748 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 3/20 0.39
MAPT P10636 3/20 0.39
CYP3A4 P08684 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 2/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NQO2 P16083 3/20 0.37

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
SCHEMBL758159 0.91 TP53 (0.37) CA1CA2CA7CA9CA12
SCHEMBL7802337 0.87 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL726216 0.81 KDM4E (0.46) CA1CA2CA7CA9CA12
SCHEMBL1072053 0.79 CYP2A6 (0.43) CA1CA2CA7CA9MAPT
SCHEMBL30133444 0.79 HTR2A (0.43) CA1CA2CA7CA9CA12
SCHEMBL696242 0.79 TP53 (0.43) CA1CA2CA7CA9CA12
SCHEMBL6550705 0.79 HTR2A (0.43) CA1CA2CA7CA9CA12
SCHEMBL2380969 0.79 CA1 (0.42) CA1CA2CA7CA9CA12
SCHEMBL2424037 0.79 TAAR1 (0.42) CA1CA2CA7CA9CA12
SCHEMBL2061864 0.79 IDO1 (0.42) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3712151-A1 SPIRO AROMATIC RING COMPOUND AND APPLICATION THEREOF Etern Biopharma (Shanghai) Co., Ltd. (CN) 2020-09-23 EP disclosed
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 US disclosed
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 US disclosed
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 US disclosed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 US disclosed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 US disclosed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 US disclosed
EP-2421835-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INHIBITORS Glaxo Group Limited (GB) 2012-02-29 EP disclosed
WO-2010122089-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INHIBITORS GLAXO GROUP LIMITED (GB) 2010-10-28 WO disclosed
WO-2010122089-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INHIBITORS GLAXO GROUP LIMITED (GB) 2010-10-28 WO disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 US disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 US disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 US disclosed
EP-1236717-B1 OXIME O-ETHER COMPOUNDS AND FUNGICIDES FOR AGRICULTURAL AND HORTICULTURAL USE NIPPON SODA CO (JP) 2004-02-04 EP disclosed
US-6589967-B1 Fungicide for agricultural and horticultural use comprising the compound as the active ingredient. agricultural plant protection chemicals have been used for controlling plant diseases. NIPPON SODA CO. LTD. (JP) 2003-07-08 US disclosed
EP-1236717-A1 OXIME O-ETHER COMPOUNDS AND FUNGICIDES FOR AGRICULTURAL AND HORTICULTURAL USE NIPPON SODA CO., LTD. (JP) 2002-09-04 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 (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-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS ORAI1, TRPV1, CACNA1E CA1 1172/4885CA2 176/4885CA7 2749/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 CA1 2579/4885CA2 2443/4885CA7 1770/4885

“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.