SCHEMBL6708703

SCHEMBL6708703

CCC(C)Oc1ccc2cc(C(=O)Nc3ccc(C#N)cc3-c3nnn[nH]3)n(C)c2c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.35
TRPA1 O75762 1/20 0.35
MAPT P10636 3/20 0.33
LMNA P02545 2/20 0.33
KDM1A O60341 7/20 0.33
TDP2 O95551 4/20 0.32
MAOA P21397 1/20 0.32
RCOR1 Q9UKL0 4/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31
BRPF1 P55201 1/20 0.31
PIK3CA P42336 1/20 0.31
PRKAA2 P54646 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 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
SCHEMBL6714035 0.89 ROCK2 (0.36) ROCK2MAPTLMNAKDM1ATDP2
SCHEMBL6708021 0.89 MAPT (0.41) ROCK2TRPA1MAPTKDM1ATDP2
SCHEMBL6713492 0.88 GPR35 (0.37) MAPTLMNAALDH1A1TSHR
SCHEMBL6710543 0.88 RXFP1 (0.39) ROCK2MAPTLMNAKDM1A
SCHEMBL6917647 0.88 KDM1A (0.32) KDM1A
SCHEMBL6714039 0.85 KDM1A (0.44) ROCK2KDM1AMAOARCOR1
SCHEMBL6711922 0.85 LMNA (0.34) ROCK2TRPA1MAPTLMNAKDM1A
SCHEMBL6707785 0.85 TDP2 (0.44) ROCK2KDM1ATDP2MAOARCOR1
SCHEMBL6707752 0.84 KDM1A (0.43) ROCK2KDM1AMAOARCOR1
SCHEMBL6711975 0.83 TRPA1 (0.46) ROCK2TRPA1LMNAKDM1AMAOA

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 ROCK2 4868/4885TRPA1 594/4885MAPT 4754/4885

“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.