SCHEMBL424285

SCHEMBL424285

CC(=O)N(C)CCc1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.59
HSD11B1 P28845 1/20 0.59
KDM4E B2RXH2 5/20 0.55
TDP1 Q9NUW8 2/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 3/20 0.53
POLB P06746 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TSHR P16473 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.49

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
SCHEMBL2755865 0.87 KDM4E (0.62) HIF1AHSD11B1KDM4ETDP1MEN1
SCHEMBL424284 0.85 HIF1A (0.58) HIF1AHSD11B1KDM4ETDP1MEN1
SCHEMBL7974996 0.85 HIF1A (0.58) HIF1AHSD11B1KDM4ETDP1MEN1
SCHEMBL7974997 0.85 HIF1A (0.58) HIF1AHSD11B1KDM4ETDP1MEN1
SCHEMBL12846060 0.84 HIF1A (0.64) HIF1AHSD11B1KDM4ETDP1MEN1
SCHEMBL427048 0.83 SMN1; SMN2 (0.52) HIF1AHSD11B1KDM4ETDP1KMT2A
SCHEMBL10159595 0.83 HIF1A (0.55) HIF1AHSD11B1KDM4ETDP1MEN1
SCHEMBL12783382 0.83 HIF1A (0.55) HIF1AHSD11B1KDM4ETDP1MEN1
SCHEMBL14020495 0.83 HIF1A (0.55) HIF1AHSD11B1KDM4ETDP1MEN1
SCHEMBL2755875 0.83 HIF1A (0.59) HIF1AHSD11B1KDM4ETDP1MEN1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951073-B2 Compounds and compositions for treating chemical warfare agent-induced injuries HYDRA BIOSCIENCES, INC. (US) 2018-04-24 US disclosed
US-20130303521-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC (US) 2013-11-14 US disclosed
US-8163761-B2 Methods and compositions for treating disorders HYDRA BIOSCIENCES, INC. (US) 2012-04-24 US disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
EP-1928236-B1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC (BM) 2011-11-23 EP disclosed
EP-2190836-B1 2-HETEROARYLAMINO-PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2011-08-17 EP disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
US-7332492-B2 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by NP Y5 receptor ASTRAZENECA AB (SE) 2008-02-19 US disclosed
US-20070203184-A1 Novel Indolin-2-one Derivatives, Their Preparation and the Pharmaceutical Compositions Comprising Them SANOFI-AVENTIS (FR) 2007-08-30 US disclosed
US-20070203184-A1 Novel Indolin-2-one Derivatives, Their Preparation and the Pharmaceutical Compositions Comprising Them SANOFI-AVENTIS (FR) 2007-08-30 US disclosed
US-20070155813-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-07-05 US disclosed
US-20070155813-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-07-05 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-7160877-B2 Aliphatic nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2007-01-09 US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP disclosed
EP-1688420-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2006-08-09 EP disclosed
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2006-07-27 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 (7 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 HIF1A 3985/4885HSD11B1 1382/4885KDM4E 2725/4885
US-20070203184-A1 Novel Indolin-2-one Derivatives, Their Preparation and the Pharmaceutical Compositions Comprising Them OXTR, AVPR2, AVPR1B HIF1A 1787/4885HSD11B1 708/4885KDM4E 3682/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI HIF1A 4019/4885HSD11B1 1282/4885KDM4E 1520/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 HIF1A 4221/4885HSD11B1 1468/4885KDM4E 1949/4885
US-20130303521-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 HIF1A 478/4885HSD11B1 3661/4885KDM4E 4024/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 HIF1A 3985/4885HSD11B1 1382/4885KDM4E 2725/4885
US-20070155813-A1 Hsp90 family protein inhibitors HSP90AB1, HEATR1, HSP90AB2P HIF1A 2516/4885HSD11B1 943/4885KDM4E 3223/4885

“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.