SCHEMBL2810770

SCHEMBL2810770

Cc1cc(C)c(CN)c(C)c1CN

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC11A2 P49281 1/20 0.45
PGK1 P00558 1/20 0.44
PGK2 P07205 1/20 0.44
HTR1D P28221 2/20 0.39
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
AOC3 Q16853 3/20 0.33
HTR2A P28223 1/20 0.32
HTR1B P28222 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30
AOC1 P19801 1/20 0.30

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
SCHEMBL392356 0.89 SLC11A2 (0.38) SLC11A2PGK1PGK2HTR1DCYP3A4
SCHEMBL2371105 0.83 CA1 (0.39) SLC11A2PGK1PGK2HTR1DCYP3A4
SCHEMBL6589242 0.82 SLC11A2 (0.35) SLC11A2PGK1PGK2HTR1D
SCHEMBL395734 0.82 SLC11A2 (0.35) SLC11A2PGK1PGK2HTR1DCYP3A4
SCHEMBL28017661 0.79 SLC11A2 (0.35) SLC11A2PGK1PGK2HTR1DCYP3A4
SCHEMBL27430698 0.79 HTR1D (0.44) SLC11A2PGK1PGK2HTR1DHTR1B
SCHEMBL14135238 0.77 AOC3 (0.35) AOC3AOC1
SCHEMBL111999 0.77 HRH3 (0.40) HTR1DTSHRHTR1BTAAR1
SCHEMBL395903 0.74 POLB (0.35) TSHRAOC3HTR2ATAAR1
Hydrochloric Acid SCHEMBL7894748 0.74 LMNA (0.42) HTR1DTSHRAOC3HTR1BTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200241008-A1 MONITORING INFLAMMATION STATUS MOLOGIC LIMITED (GB) 2020-07-30 US disclosed
EP-3111226-B1 MONITORING INFLAMMATION STATUS MOLOGIC LTD (GB) 2019-05-01 EP disclosed
US-20170108511-A1 Monitoring Inflammation Status MOLOGIC LIMITED (GB) 2017-04-20 US disclosed
US-20100240713-A1 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2010-09-23 US disclosed
US-20100240713-A1 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2010-09-23 US disclosed
US-20100240713-A1 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2010-09-23 US disclosed
EP-2068855-A2 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-06-17 EP disclosed
WO-2008151288-A2 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-12-11 WO disclosed
WO-2008151288-A2 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-12-11 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 (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-20100240713-A1 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS SLC40A1, PAH, FECH SLC11A2 175/4885PGK1 1732/4885PGK2 1971/4885

“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.