SCHEMBL6713385

SCHEMBL6713385

Cn1c(C(=O)Nc2ccc(Br)cc2-c2nnn[nH]2)cc2cccc(OCC3CCCCC3)c21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.38
KDM1A O60341 3/20 0.36
RCOR1 Q9UKL0 2/20 0.35
GUCY1B2 O75343 9/20 0.34
GUCY1A2 P33402 9/20 0.34
GUCY1A1 Q02108 9/20 0.34
GUCY1B1 Q02153 9/20 0.34
HIF1A Q16665 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
GRM5 P41594 1/20 0.34
BACE1 P56817 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32

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
SCHEMBL6713780 0.98 KDM1A (0.36) PTGER1KDM1ARCOR1GUCY1B2GUCY1A2
SCHEMBL6708000 0.96 KDM1A (0.37) PTGER1KDM1ARCOR1HIF1ANPSR1
SCHEMBL6713351 0.91 PTGER1 (0.38) PTGER1KDM1ARCOR1GRM5
SCHEMBL6710156 0.90 KDM1A (0.38) KDM1ARCOR1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL6708205 0.89 MAPT (0.35) PTGER1GRM5LMNAMAPTIRAK4
SCHEMBL6710481 0.89 PTGER1 (0.37) PTGER1KDM1ARCOR1
SCHEMBL6711750 0.88 KDM1A (0.39) KDM1ARCOR1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL6710394 0.87 KDM1A (0.37) PTGER1KDM1ARCOR1LMNAMAPT
SCHEMBL6708834 0.86 NPSR1 (0.35) KDM1ARCOR1HIF1ANPSR1RXFP1
SCHEMBL6712280 0.86 NPSR1 (0.36) HIF1ANPSR1RXFP1BACE1LMNA

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 PTGER1 3857/4885KDM1A 620/4885RCOR1 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.