SCHEMBL19732136

SCHEMBL19732136

COC(=O)C1CCCN1c1ccc(C)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
ALDH1A1 P00352 7/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 2/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FFAR2 O15552 1/20 0.41

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
SCHEMBL696233 0.88 MAPT (0.51) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL17813139 0.85 MAPT (0.48) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL2482873 0.83 HPGD (0.56) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL8084718 0.81 SMN1; SMN2 (0.46) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL11477630 0.80 MAPT (0.42) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL28493144 0.80 AR (0.55) MAPTSMN1; SMN2
SCHEMBL11477620 0.79 MAPT (0.42) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL695457 0.76 FKBP1A (0.48) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL17813026 0.76 MAPT (0.42) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL31480971 0.75 ALDH1A1 (0.48) MAPTALDH1A1MEN1KMT2ALMNA

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-20170362221-A1 INHIBITORS OF KIDNEY-TYPE GLUTAMINASE, GLS-1 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-12-21 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-20170362221-A1 INHIBITORS OF KIDNEY-TYPE GLUTAMINASE, GLS-1 GLS, GLS2, GLUL MAPT 4699/4885ALDH1A1 392/4885MEN1 1740/4885

“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.