SCHEMBL2035481

SCHEMBL2035481

COC(=O)c1c[nH]c2c(C(F)(F)F)cccc12

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 11/20 0.65
KDM4E B2RXH2 3/20 0.62
CREBBP Q92793 1/20 0.54
MAP2K1 Q02750 1/20 0.50
HSD17B10 Q99714 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PIM1 P11309 1/20 0.44
PIM3 Q86V86 1/20 0.44
BRPF1 P55201 1/20 0.43
HAT1 O14929 1/20 0.43
EP300 Q09472 1/20 0.43
CTNNB1 P35222 1/20 0.42
WNT3A P56704 1/20 0.42

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
SCHEMBL2034149 0.81 NR4A2 (0.70) NR4A2KDM4ECREBBPMAP2K1HSD17B10
SCHEMBL2036909 0.79 NR4A2 (1.00) NR4A2KDM4ECREBBPMAP2K1HSD17B10
SCHEMBL27405878 0.78 KDM4E (0.53) NR4A2KDM4EHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL9936554 0.78 NR4A2 (0.70) NR4A2KDM4ECREBBPMAP2K1HSD17B10
SCHEMBL2040417 0.78 NR4A2 (1.00) NR4A2KDM4ECREBBPMAP2K1HSD17B10
SCHEMBL17113293 0.78 NR4A2 (0.70) NR4A2KDM4ECREBBPMAP2K1HSD17B10
SCHEMBL4798897 0.78 KDM4E (0.69) NR4A2KDM4EHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL10391427 0.77 LMNA (0.45) NR4A2KDM4ECREBBPHSD17B10ALDH1A1
SCHEMBL4742144 0.77 KDM4E (1.00) KDM4EHSD17B10SMN1; SMN2ALDH1A1MAPT
SCHEMBL2963413 0.75 KDM4E (0.67) KDM4EHSD17B10SMN1; SMN2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993523-B2 Dimeric IAP inhibitors NOVARTIS AG (CH) 2015-03-31 US disclosed
CN-103347874-B dimeric IAP inhibitors NOVARTIS AG (CH) 2014-10-29 CN disclosed
US-20130309247-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2013-11-21 US disclosed
EP-2651919-A1 DIMERIC IAP INHIBITORS Novartis AG (CH) 2013-10-23 EP disclosed
CN-103347874-A Dimeric iap inhibitors NOVARTIS AG 2013-10-09 CN disclosed
CN-102770425-A Indolyl-piperidinylbenzylamines as beta-tryptase inhibitors SANOFI SA 2012-11-07 CN disclosed
EP-2516419-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-10-31 EP disclosed
US-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-09-27 US disclosed
US-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-09-27 US disclosed
US-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-09-27 US disclosed
WO-2012080271-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2012-06-21 WO disclosed
WO-2011079102-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2011-06-30 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 (2 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-20130309247-A1 DIMERIC IAP INHIBITORS XIAP, BIRC5, BIRC2 NR4A2 3995/4885KDM4E 3847/4885CREBBP 3960/4885
US-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS TPSAB1, TPSB2, TPSD1 NR4A2 3953/4885KDM4E 801/4885CREBBP 2114/4885

“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.