SCHEMBL6714035

SCHEMBL6714035

CCCCOc1ccc2cc(C(=O)Nc3ccc(C#N)cc3-c3nnn[nH]3)n(C)c2c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
KDM1A O60341 3/20 0.35
CNR1 P21554 1/20 0.34
HRH2 P25021 2/20 0.34
HRH1 P35367 2/20 0.34
NTRK1 P04629 1/20 0.34
RCOR1 Q9UKL0 1/20 0.34
MCHR1 Q99705 1/20 0.34
MAOA P21397 1/20 0.34
AGER Q15109 3/20 0.33
TDP2 O95551 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 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
SCHEMBL6708021 0.90 MAPT (0.41) ROCK2MAPTKDM1AMAOATDP2
SCHEMBL6714039 0.90 KDM1A (0.44) ROCK2KDM1ARCOR1MCHR1MAOA
SCHEMBL6707785 0.89 TDP2 (0.44) ROCK2KDM1ARCOR1MAOATDP2
SCHEMBL6708703 0.89 ROCK2 (0.35) ROCK2LMNAMAPTKDM1ARCOR1
SCHEMBL6709851 0.89 RXFP1 (0.39) ROCK2LMNAMAPTTP53POLB
SCHEMBL6708959 0.89 AKR1C2 (0.41) LMNAMAPTTP53POLBAGER
SCHEMBL6707752 0.89 KDM1A (0.43) ROCK2KDM1ARCOR1MCHR1MAOA
SCHEMBL6710229 0.85 NAMPT (0.40) ROCK2
SCHEMBL6708650 0.85 ROCK2 (0.40) ROCK2
SCHEMBL6714061 0.84 PLA2G4A (0.39) LMNAMAPTTP53POLBKDM1A

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 ROCK2 4868/4885LMNA 4062/4885MAPT 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.