SCHEMBL16840314

SCHEMBL16840314

CCOC(=O)Cc1c(C(=O)OCC)nnn1-c1cc(OC)ccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ MITF O75030 1/20 0.52
▸ SLC5A1 P13866 4/20 0.48
▸ SLC5A2 P31639 4/20 0.48
▸ MAPT P10636 2/20 0.46
▸ KCNMA1 Q12791 1/20 0.46
▸ USP2 O75604 1/20 0.43
▸ NR1I2 O75469 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ F2 P00734 1/20 0.40
▸ PLAU P00749 1/20 0.40
▸ ELANE P08246 1/20 0.40
▸ CTRB1 P17538 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ ALOX12 P18054 1/20 0.39

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
SCHEMBL27251643 0.89 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1MITFSLC5A1SLC5A2
SCHEMBL19326955 0.87 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1MITFSLC5A1SLC5A2
SCHEMBL18321355 0.87 KCNMA1 (0.58) SMN1; SMN2ALDH1A1MITFSLC5A1SLC5A2
SCHEMBL16840332 0.84 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1MITFSLC5A1SLC5A2
SCHEMBL16840324 0.83 MAPT (0.45) SMN1; SMN2ALDH1A1MITFMAPTUSP2
SCHEMBL18329220 0.74 MAPT (0.40) SMN1; SMN2ALDH1A1MAPTL3MBTL1MAPK1
SCHEMBL19783798 0.73 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1MAPTL3MBTL1MAPK1
SCHEMBL29848981 0.73 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1MAPTL3MBTL1MAPK1
SCHEMBL27251644 0.72 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1MITFSLC5A1SLC5A2
SCHEMBL18412397 0.71 MAPT (0.47) SMN1; SMN2ALDH1A1MITFMAPTLMNA

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-20170253603-A2 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT AGENEBIO, INC. (US) 2017-09-07 — — US disclosed
WO-2015095783-A1 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT AGENEBIO, INC. (US) 2015-06-25 — — 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-20170253603-A2 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT GRM5, GABRA5, GABRE SMN1; SMN2 688/4885ALDH1A1 1862/4885MITF 2406/4885

“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.

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