SCHEMBL6366337

SCHEMBL6366337

CCCCc1[nH]nc(C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 11/20 0.60
HCAR3 P49019 2/20 0.40
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CASP7 P55210 1/20 0.36
CASP6 P55212 1/20 0.36
HAO1 Q9UJM8 1/20 0.35
CDC25B P30305 3/20 0.33
GAA P10253 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
SCHEMBL6365547 0.87 HCAR2 (0.48) HCAR2HCAR3MAPTALDH1A1CASP7
SCHEMBL1558736 0.84 HCAR2 (0.57) HCAR2MAPTALDH1A1CASP7CASP6
SCHEMBL6366344 0.79 HCAR2 (0.42) HCAR2MAPTALDH1A1CASP7CASP6
SCHEMBL3956709 0.75 HCAR2 (1.00) HCAR2HCAR3HAO1
SCHEMBL27468546 0.73 HCAR2 (0.40) HCAR2HCAR3MAPTALDH1A1CASP7
SCHEMBL1559276 0.73 MAPT (0.53) HCAR2MAPTALDH1A1CASP7CASP6
SCHEMBL6363165 0.71 HCAR2 (0.44) HCAR2MAPTALDH1A1CASP7CASP6
SCHEMBL11411101 0.71 HCAR2 (0.65) HCAR2HCAR3HAO1
SCHEMBL331274 0.71 ALDH1A1 (0.36) HCAR2MAPTALDH1A1CASP7CASP6
SCHEMBL11365654 0.70 HCAR2 (0.59) HCAR2HCAR3HAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6967204-B2 Treatment of insulin resistance syndrome and type 2 diabetes with PDE9 inhibitors PFIZER INC (US) 2005-11-22 US disclosed
US-20050070557-A1 Treatment of insulin resistance syndrome and type 2 diabetes with PDE9 inhibitors PFIZER INC 2005-03-31 US disclosed
CN-1575191-A Treatment of insulin resistance syndrome and type 2 diabetes with PDE9 inhibitors PFIZER PROD INC (US) 2005-02-02 CN disclosed
EP-1444009-A1 TREATMENT OF INSULIN RESISTANCE SYNDROME AND TYPE 2 DIABETES WITH PDE9 INHIBITORS Pfizer Products Inc. (US) 2004-08-11 EP disclosed
US-20040023989-A1 Treatment of insulin resistance syndrome and type 2 diabetes with PDE9 inhibitors FRYBURG DAVID A (US) 2004-02-05 US disclosed
WO-2003037432-A1 TREATMENT OF INSULIN RESISTANCE SYNDROME AND TYPE 2 DIABETES WITH PDE9 INHIBITORS PFIZER PRODUCTS INC. (US) 2003-05-08 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 (2 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-20050070557-A1 Treatment of insulin resistance syndrome and type 2 diabetes with PDE9 inhibitors GPR119, PDE2A, PDE9A HCAR2 1033/4885HCAR3 2113/4885MAPT 4748/4885
US-20040023989-A1 Treatment of insulin resistance syndrome and type 2 diabetes with PDE9 inhibitors GPR119, PDE2A, PDE9A HCAR2 1033/4885HCAR3 2113/4885MAPT 4748/4885

“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.