SCHEMBL6651589

SCHEMBL6651589

CCc1cc(N)ccc1C(N)=NO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.40
PRKCI P41743 1/20 0.40
ACHE P22303 1/20 0.39
KDM4E B2RXH2 3/20 0.37
POLB P06746 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
MAPT P10636 4/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 2/20 0.35
ESR2 Q92731 1/20 0.35
PTPN1 P18031 1/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34

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
SCHEMBL3783154 0.79 PRKCI (0.43) GAAPRKCIACHEKDM4EPOLB
SCHEMBL28029469 0.78 PRKCI (0.42) GAAPRKCIACHEKDM4EPOLB
SCHEMBL182142 0.76 ALDH1A1 (0.57) GAAPRKCIACHEKDM4EPOLB
SCHEMBL103624 0.76 GAA (0.46) GAAMAPTALDH1A1GABRA1GABRB2
SCHEMBL6649997 0.76 PDE10A (0.47) GAAKDM4EPOLBTDP1MAPT
SCHEMBL103625 0.76 GAA (0.46) GAAMAPTALDH1A1GABRA1GABRB2
Acetic Acid SCHEMBL5925619 0.75 MAPT (0.43) GAAPRKCIACHEKDM4EPOLB
SCHEMBL24763960 0.74 PRKCI (0.42) GAAPRKCIACHEKDM4EPOLB
Hydrochloric Acid SCHEMBL7912933 0.74 ALDH1A1 (0.55) GAAPRKCIACHEKDM4EPOLB
SCHEMBL345797 0.72 PRKCI (0.45) GAAPRKCIACHEKDM4EPOLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1482940-A2 PRODRUGS OF SUBSTITUTED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2004-12-08 EP disclosed
US-20040082585-A1 Prodrugs of substituted polycyclic compounds useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-04-29 US disclosed
WO-2003028729-A2 PRODRUGS OF SUBSTITUTED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2003-04-10 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-20040082585-A1 Prodrugs of substituted polycyclic compounds useful for selective inhibition of the coagulation cascade TFPI, F2, PLG GAA 1146/4885PRKCI 1196/4885ACHE 3797/4885

“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.