SCHEMBL2540903

SCHEMBL2540903

FC(F)(F)Oc1ccc2ccccc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NCF1 P14598 3/20 0.42
CYP1A2 P05177 2/20 0.42
NOS2 P35228 1/20 0.42
BACE1 P56817 1/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
HDAC1 Q13547 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
CNR2 P34972 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
ACHE P22303 1/20 0.38
MGAM O43451 1/20 0.37

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
SCHEMBL31325635 1.00 SMN1; SMN2 (0.46) SMN1; SMN2HTTMAPTMEN1KMT2A
SCHEMBL8152254 0.82 MEN1 (0.43) SMN1; SMN2HTTMAPTMEN1KMT2A
SCHEMBL4278377 0.80 CYP1A2 (0.47) SMN1; SMN2MAPTMEN1KMT2ANCF1
SCHEMBL1131286 0.76 NCF1 (0.50) SMN1; SMN2MAPTMEN1KMT2ANCF1
SCHEMBL31498821 0.76 NCF1 (0.50) SMN1; SMN2MAPTMEN1KMT2ANCF1
SCHEMBL6607250 0.76 MEN1 (0.51) SMN1; SMN2MAPTMEN1KMT2ANCF1
SCHEMBL18635305 0.76 ALDH1A1 (0.41) SMN1; SMN2HTTMAPTMEN1KMT2A
SCHEMBL2744806 0.76 CYP1A2 (0.42) SMN1; SMN2MAPTMEN1KMT2ANCF1
SCHEMBL21224724 0.74 HTT (0.55) SMN1; SMN2HTTMEN1KMT2ACYP1A2
SCHEMBL31184081 0.74 HTT (0.55) SMN1; SMN2HTTMEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846694-B2 Pyrrolidone derivatives for use as MetAP-2 inhibitors MERCK PATENT GMBH (DE) 2014-09-30 US claimed
US-20110263561-A1 Novel pyrrolidone derivatives for use as MetAP-2 inhibitors MERCK PATENT GMBH (DE) 2011-10-27 US claimed
US-9801878-B2 Quinoline derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2017-10-31 US disclosed
US-20160303120-A1 Quinoline Derivatives as PDE10A Enzyme Inhibitors H. LUNDBECK A/S (DK) 2016-10-20 US disclosed
US-20150376186-A1 Quinoline derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2015-12-31 US disclosed
US-9216986-B1 Quinoline derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2015-12-22 US disclosed
EP-2794606-A1 QUINOLINE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. Lundbeck A/S (DK) 2014-10-29 EP disclosed
CN-103930418-A Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS INC 2014-07-16 CN disclosed
CN-103857675-A Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS INC 2014-06-11 CN disclosed
WO-2013092974-A1 QUINOLINE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2013-06-27 WO disclosed
US-7087626-B2 Pyrrole derivatives as pharmaceutical agents ELI LILLY AND COMPANY (US) 2006-08-08 US disclosed
EP-1009748-A1 3-ALKYLPYRROLO 3,2-$i(c)]QUINOLINE DERIVATIVES Korea Research Institute of Chemical Technology (KR) 2000-06-21 EP disclosed
WO-2000001696-A1 3-ALKYLPYRROLO[3,2-c]QUINOLINE DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2000-01-13 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 (3 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-20110263561-A1 Novel pyrrolidone derivatives for use as MetAP-2 inhibitors METAP2, METAP1, ENPEP SMN1; SMN2 3884/4885HTT 3965/4885MAPT 2230/4885
US-20150376186-A1 Quinoline derivatives as PDE10A enzyme inhibitors PDE5A, PDE12, PDE3B SMN1; SMN2 1254/4885HTT 787/4885MAPT 664/4885
US-20160303120-A1 Quinoline Derivatives as PDE10A Enzyme Inhibitors PDE5A, PDE3B, PDE12 SMN1; SMN2 1213/4885HTT 680/4885MAPT 641/4885

“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.