SCHEMBL89770

SCHEMBL89770

CCc1sc(/C=C/C(=O)OC)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.47
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
ALOX15 P16050 2/20 0.38
LMNA P02545 1/20 0.38
TTR P02766 1/20 0.38
APP P05067 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
TYR P14679 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
MAPT P10636 3/20 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
SCHEMBL1801435 0.74 USP2 (0.39) USP2ALDH1A1SMN1; SMN2ALOX15LMNA
SCHEMBL68058 0.70 CA12 (0.46) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL68057 0.70 CA12 (0.46) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL1904084 0.70 KCNA3 (0.46) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL4081161 0.70 KCNA3 (0.46) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL1904086 0.70 KCNA3 (0.46) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL1529949 0.70 USP2 (0.66) USP2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL31664971 0.70 TTR (0.42) ALDH1A1KDM4EHPGDHSD17B10L3MBTL1
SCHEMBL30993007 0.69 HDAC1 (0.46) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
Cyclopropane SCHEMBL11656911 0.68 KMT2A (0.44) ALDH1A1KDM4EHPGDHSD17B10SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 USP2 3964/4885ALDH1A1 38/4885KDM4E 1650/4885

“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.