SCHEMBL2779928

SCHEMBL2779928

COc1cccc(OC)c1CNC(=N)Nc1ncccc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
MAPT P10636 4/20 0.37
NPSR1 Q6W5P4 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ROCK2 O75116 1/20 0.37
GRM5 P41594 2/20 0.37
ASIC3 Q9UHC3 1/20 0.37
GFER P55789 1/20 0.37
ALDH1A1 P00352 3/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
ALOX12 P18054 1/20 0.37
ATP4A P20648 1/20 0.36
ATP4B P51164 1/20 0.36
HIF1A Q16665 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 2/20 0.35

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
Acetic Acid SCHEMBL2780217 0.94 MAPT (0.41) MAPTNPSR1KDM4EROCK2GFER
SCHEMBL2782905 0.87 POLB (0.45) MAPTNPSR1KDM4EALDH1A1RAB9A
SCHEMBL2780832 0.86 GFER (0.51) MAPTKDM4EGRM5ASIC3GFER
SCHEMBL2782502 0.83 GFER (0.50) MAPTKDM4EGRM5ASIC3GFER
SCHEMBL2783294 0.82 KDR (0.41) MAPTNPSR1KDM4EROCK2GFER
SCHEMBL2778460 0.82 NPC1 (0.48) HTR2ANPSR1KDM4EALDH1A1RAB9A
Acetic Acid SCHEMBL2779537 0.82 POLB (0.46) MAPTNPSR1KDM4EALDH1A1RAB9A
SCHEMBL2781208 0.82 ROCK2 (0.41) MAPTKDM4EROCK2ALDH1A1RAB9A
Acetic Acid SCHEMBL2782764 0.81 GFER (0.52) MAPTNPSR1KDM4EGFERALDH1A1
SCHEMBL2783935 0.81 DHODH (0.40) ROCK2

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-9296697-B2 Hetaryl-substituted guanidine compounds and use thereof as binding partners for 5-HT5-receptors ABBOTT LABORATORIES (US) 2016-03-29 US claimed
US-9296697-B2 Hetaryl-substituted guanidine compounds and use thereof as binding partners for 5-HT5-receptors ABBOTT LABORATORIES (US) 2016-03-29 US disclosed
US-20100184787-A1 Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-07-22 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 (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-20100184787-A1 Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors HTR5A, HTR2C, HTR1E HTR2A 5/4885HTR2C 2/4885MAPT 131/4885

“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.