SCHEMBL6710156

SCHEMBL6710156

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.38
RCOR1 Q9UKL0 2/20 0.36
GUCY1B2 O75343 9/20 0.34
GUCY1A2 P33402 9/20 0.34
GUCY1A1 Q02108 9/20 0.34
GUCY1B1 Q02153 9/20 0.34
CHRM3 P20309 1/20 0.34
VCP P55072 1/20 0.33
TSHR P16473 1/20 0.33
DHODH Q02127 1/20 0.33
GRM5 P41594 1/20 0.33
MAOA P21397 1/20 0.33
GPR6 P46095 1/20 0.33

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
SCHEMBL6711750 0.98 KDM1A (0.39) KDM1ARCOR1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL6710365 0.96 KDM1A (0.39) KDM1ARCOR1CHRM3MAOAGPR6
SCHEMBL6713385 0.90 PTGER1 (0.38) KDM1ARCOR1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL6713351 0.90 PTGER1 (0.38) KDM1ARCOR1CHRM3GRM5
SCHEMBL6708943 0.90 MAPT (0.36) KDM1ATSHRMAOA
SCHEMBL6709157 0.88 GPR6 (0.38) KDM1AMAOAGPR6
SCHEMBL6713780 0.88 KDM1A (0.36) KDM1ARCOR1GUCY1B2GUCY1A2GUCY1A1
SCHEMBL6710481 0.88 PTGER1 (0.37) KDM1ARCOR1CHRM3
SCHEMBL6708936 0.88 KDM1A (0.34) KDM1AMAOAGPR6
SCHEMBL6710432 0.86 LMNA (0.35) KDM1ARCOR1CHRM3MAOA

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 2 patents. 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
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 KDM1A 620/4885RCOR1 3366/4885GUCY1B2 4437/4885

“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.