SCHEMBL6835610

SCHEMBL6835610

Cn1c(C(=O)Nc2ccc(C#N)cc2C(=O)O)cc2cccc(OCC3CCCCO3)c21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 3/20 0.40
MAPT P10636 2/20 0.40
ALB P02768 2/20 0.38
KDM1A O60341 2/20 0.37
CNR2 P34972 2/20 0.37
NPC1 O15118 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
GRM4 Q14833 1/20 0.36
PTGER1 P34995 1/20 0.36
MAOA P21397 1/20 0.35
FGFR4 P22455 1/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
GPR6 P46095 1/20 0.35
RXFP1 Q9HBX9 1/20 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
SCHEMBL6830121 0.91 ALB (0.40) SMN1; SMN2MAPTALBKDM1ALMNA
SCHEMBL6834029 0.88 KDM1A (0.42) ALBKDM1ATSHRRXFP1
SCHEMBL6834267 0.87 KDM1A (0.42) MAPTALBKDM1ALMNAMAOA
SCHEMBL6833872 0.87 KDM1A (0.43) MAPTALBKDM1ALMNAMAOA
SCHEMBL6834429 0.85 ALB (0.36) MAPTALBKDM1ALMNAGPR6
SCHEMBL6921695 0.85 ALB (0.36) MAPTALBKDM1ALMNAGPR6
SCHEMBL6708943 0.84 MAPT (0.36) SMN1; SMN2RAB9AMAPTKDM1ANPC1
SCHEMBL6708005 0.84 EGLN1 (0.38) SMN1; SMN2RAB9AMAPTKDM1AHPGD
SCHEMBL6830110 0.84 PTGIR (0.39) RAB9AMAPTNPC1ALDH1A1RXFP1
SCHEMBL6834260 0.82 GPR6 (0.41) KDM1AMAOAGPR6

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-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US claimed
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 SMN1; SMN2 2022/4885RAB9A 4337/4885MAPT 4759/4885

“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.