SCHEMBL4469615

SCHEMBL4469615

O=c1cc(O)c2cc([N+](=O)[O-])ccc2[nH]1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.58
CA9 Q16790 2/20 0.58
ALDH1A1 P00352 4/20 0.55
CTSV O60911 2/20 0.55
CTSL P07711 2/20 0.55
PARP1 P09874 2/20 0.55
FASN P49327 1/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
POLB P06746 2/20 0.52
PKM P14618 1/20 0.52
NPY1R P25929 1/20 0.52
NPY2R P49146 1/20 0.52
GRIA1 P42261 1/20 0.51
GRIA2 P42262 1/20 0.51
GRIA3 P42263 1/20 0.51
GRIA4 P48058 1/20 0.51
MAPT P10636 4/20 0.51
LMNA P02545 2/20 0.51

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
SCHEMBL31081636 1.00 CA12 (0.58) CA12CA9ALDH1A1CTSVCTSL
SCHEMBL3592366 0.87 PARP1 (0.58) CA12CA9ALDH1A1PARP1KDM4E
SCHEMBL30349881 0.82 MAPT (0.61) CA12CA9ALDH1A1CTSVCTSL
SCHEMBL31169728 0.81 CA12 (0.58) CA12CA9ALDH1A1CTSVCTSL
SCHEMBL20183771 0.81 CA12 (0.58) CA12CA9ALDH1A1CTSVCTSL
SCHEMBL28982709 0.80 ALDH1A1 (0.59) CA12CA9ALDH1A1CTSVCTSL
SCHEMBL29540314 0.79 GABRA1 (0.70) CA12CA9ALDH1A1CTSVCTSL
SCHEMBL155013 0.79 GABRA1 (0.70) CA12CA9ALDH1A1CTSVCTSL
SCHEMBL9389021 0.78 PARP1 (0.60) CA12CA9ALDH1A1CTSVCTSL
SCHEMBL8895896 0.78 GRIN2D (0.66) CA12CA9ALDH1A1CTSVCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048276-A1 Inhibitors of Fatty Acid Synthase (Fas) MERCK SHARP & DOHME CORP. 2009-02-19 US disclosed
US-20090048276-A1 Inhibitors of Fatty Acid Synthase (Fas) MERCK SHARP & DOHME CORP. 2009-02-19 US disclosed
US-20090048276-A1 Inhibitors of Fatty Acid Synthase (Fas) MERCK SHARP & DOHME CORP. 2009-02-19 US disclosed
EP-1981341-A2 INHIBITORS OF FATTY ACID SYNTHASE (FAS) Merck and Co., Inc. (US) 2008-10-22 EP disclosed
WO-2007089634-A2 INHIBITORS OF FATTY ACID SYNTHASE (FAS) MERCK & CO., INC. (US) 2007-08-09 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-20090048276-A1 Inhibitors of Fatty Acid Synthase (Fas) FASN, FADS2, FADS1 CA12 4688/4885CA9 3408/4885ALDH1A1 575/4885

“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.