SCHEMBL12545751

SCHEMBL12545751

CC(C)C(=O)Nc1ccc(C(=N)N)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.65
PRSS1 P07477 1/20 0.65
PRSS2 P07478 1/20 0.65
PRSS3 P35030 1/20 0.65
TMPRSS6 Q8IU80 1/20 0.65
ST14 Q9Y5Y6 1/20 0.65
ALDH1A1 P00352 2/20 0.60
HPGD P15428 1/20 0.60
HTT P42858 1/20 0.60
RAB9A P51151 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
MLYCD O95822 1/20 0.58
PLAU P00749 3/20 0.56
HPN P05981 2/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
MEN1 O00255 1/20 0.54

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
SCHEMBL3093916 0.85 HSD17B10 (0.66) ALDH1A1HPGDHTTRAB9ASMN1; SMN2
SCHEMBL21336212 0.83 HSD17B10 (0.60) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL18880072 0.82 ALDH1A1 (0.73) ALDH1A1HPGDHTTRAB9ASMN1; SMN2
SCHEMBL12545727 0.81 ALDH1A1 (0.58) ALDH1A1HPGDHTTRAB9ASMN1; SMN2
SCHEMBL4100751 0.80 HPN (0.61) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL7903320 0.79 F2 (0.71) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL22199591 0.79 ALDH1A1 (0.66) ALDH1A1HPGDHTTRAB9ASMN1; SMN2
SCHEMBL7278525 0.79 ALDH1A1 (0.71) ALDH1A1HPGDHTTRAB9ASMN1; SMN2
SCHEMBL18896262 0.79 ALDH1A1 (0.66) ALDH1A1HPGDHTTRAB9ASMN1; SMN2
SCHEMBL14254805 0.79 ALDH1A1 (0.66) ALDH1A1HPGDHTTRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160338957-A1 IMINO COMPOUNDS FOR AMPHOTERIC LIPOSOMES AND USES THEREOF BIONTECH PROTEIN THERAPEUTICS GMBH (DE) 2016-11-24 US disclosed
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
US-8642582-B2 Morpholinone compounds as factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-04 US disclosed
US-8642582-B2 Morpholinone compounds as factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-04 US disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-10 US disclosed
EP-2075250-A2 Thrombin receptor antagonists SCHERING CORPORATION (US) 2009-07-01 EP disclosed
US-7488752-B2 nor-seco himbacine derivatives; thrombosis, anticoagulants, anticancer agents; antiinflammatory agents; anticholesterol agents; cardiovascular disorders; antiarrhythmia agents; antiischemic agents; strokes; antiarthritic agents SCHERING CORPORATION (US) 2009-02-10 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 (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-20160338957-A1 IMINO COMPOUNDS FOR AMPHOTERIC LIPOSOMES AND USES THEREOF IPO8, IPO7, PHOSPHO1 F2 2554/4885PRSS1 4359/4885PRSS2 3626/4885
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 F2 14/4885PRSS1 405/4885PRSS2 1421/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 F2 14/4885PRSS1 405/4885PRSS2 1421/4885

“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.