SCHEMBL4455129

SCHEMBL4455129

CCn1c(=O)c(-c2ccccc2)c(O)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.64
RCE1 Q9Y256 1/20 0.64
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
MAPT P10636 4/20 0.61
LMNA P02545 2/20 0.61
F2RL3 Q96RI0 6/20 0.56
F2R P25116 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
FASN P49327 1/20 0.55
RAD52 P43351 1/20 0.53
GAA P10253 1/20 0.53
CYP1A2 P05177 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CFTR P13569 1/20 0.50
POLB P06746 1/20 0.49

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
SCHEMBL4458765 0.90 ALDH1A1 (0.67) KDM4ERCE1MEN1KMT2AMAPT
SCHEMBL13576578 0.84 MAPT (0.65) MEN1KMT2AMAPTLMNAF2RL3
SCHEMBL28678706 0.81 KMT2A (0.55) KDM4EMEN1KMT2AMAPTLMNA
SCHEMBL13561030 0.78 F2RL3 (0.76) MEN1KMT2AMAPTLMNAF2RL3
SCHEMBL2420647 0.78 MAPT (0.64) MEN1KMT2AMAPTLMNAF2RL3
SCHEMBL11604828 0.77 KMT2A (0.60) MEN1KMT2AMAPTLMNAF2RL3
SCHEMBL6170278 0.77 MAPT (0.75) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL6171044 0.77 KMT2A (0.75) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL148001 0.77 MAPT (0.85) KDM4EMEN1KMT2AMAPTLMNA
SCHEMBL29539965 0.77 MAPT (0.85) KDM4EMEN1KMT2AMAPTLMNA

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-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
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 KDM4E 1768/4885RCE1 373/4885MEN1 4265/4885

“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.