SCHEMBL2034149

SCHEMBL2034149

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

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 5/20 0.70
CREBBP Q92793 1/20 0.58
MAP2K1 Q02750 1/20 0.54
GUSB P08236 5/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RAB9A P51151 1/20 0.47
PIM1 P11309 1/20 0.47
PIM3 Q86V86 1/20 0.47
MPO P05164 2/20 0.47
PCSK9 Q8NBP7 2/20 0.46
BRPF1 P55201 1/20 0.46
GPR84 Q9NQS5 1/20 0.46

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
SCHEMBL7210602 0.85 NR4A2 (0.51) NR4A2GUSBRAB9AMPOPCSK9
SCHEMBL2036909 0.83 NR4A2 (1.00) NR4A2CREBBPMAP2K1KDM4EALDH1A1
SCHEMBL2035484 0.82 GPR84 (0.53) GUSBKDM4EALDH1A1HPGDRAB9A
SCHEMBL17113293 0.81 NR4A2 (0.70) NR4A2CREBBPMAP2K1KDM4EALDH1A1
SCHEMBL9936554 0.81 NR4A2 (0.70) NR4A2CREBBPMAP2K1KDM4EALDH1A1
SCHEMBL2040417 0.81 NR4A2 (1.00) NR4A2CREBBPMAP2K1KDM4EALDH1A1
SCHEMBL2035481 0.81 NR4A2 (0.65) NR4A2CREBBPMAP2K1KDM4EALDH1A1
SCHEMBL2914865 0.81 NR4A2 (0.54) NR4A2CREBBPMAP2K1GUSBKDM4E
SCHEMBL22462488 0.79 MEN1 (0.69) NR4A2CREBBPMAP2K1GUSBMAPT
SCHEMBL30909242 0.79 MPO (0.57) GUSBALDH1A1RAB9APIM1PIM3

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
CN-105593211-A Indol and indazol derivatives HOFFMANN LA ROCHE 2016-05-18 CN disclosed
US-8993523-B2 Dimeric IAP inhibitors NOVARTIS AG (CH) 2015-03-31 US 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
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 3995/4885CREBBP 3960/4885MAP2K1 958/4885
US-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS TPSAB1, TPSB2, TPSD1 NR4A2 3953/4885CREBBP 2114/4885MAP2K1 4395/4885

“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.