SCHEMBL6713780

SCHEMBL6713780

Cn1c(C(=O)Nc2ccc(Br)cc2-c2nnn[nH]2)cc2cccc(OCC3CCC3)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.36
PTGER1 P34995 2/20 0.36
RCOR1 Q9UKL0 3/20 0.35
NPSR1 Q6W5P4 2/20 0.34
HIF1A Q16665 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.33
GPR35 Q9HC97 2/20 0.32
BACE1 P56817 1/20 0.32
TP53 P04637 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
GUCY1B2 O75343 2/20 0.31
GUCY1A2 P33402 2/20 0.31
GUCY1A1 Q02108 2/20 0.31
GUCY1B1 Q02153 2/20 0.31
LCK P06239 1/20 0.31
HCK P08631 1/20 0.31
GRM5 P41594 1/20 0.31
MAOA P21397 1/20 0.31

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
SCHEMBL6713385 0.98 PTGER1 (0.38) KDM1APTGER1RCOR1NPSR1HIF1A
SCHEMBL6708000 0.97 KDM1A (0.37) KDM1APTGER1RCOR1NPSR1HIF1A
SCHEMBL6710481 0.91 PTGER1 (0.37) KDM1APTGER1RCOR1
SCHEMBL6711750 0.90 KDM1A (0.39) KDM1ARCOR1RXFP1LMNAMAPT
SCHEMBL6713351 0.89 PTGER1 (0.38) KDM1APTGER1RCOR1GRM5
SCHEMBL6708205 0.89 MAPT (0.35) PTGER1LMNAMAPTIRAK4GRM5
SCHEMBL6708834 0.89 NPSR1 (0.35) KDM1ARCOR1NPSR1HIF1ARXFP1
SCHEMBL6710394 0.88 KDM1A (0.37) KDM1APTGER1RCOR1LMNAMAPT
SCHEMBL6710156 0.88 KDM1A (0.38) KDM1ARCOR1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL6712280 0.87 NPSR1 (0.36) NPSR1HIF1ARXFP1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 KDM1A 620/4885PTGER1 3857/4885RCOR1 3366/4885

“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.