SCHEMBL8205617

SCHEMBL8205617

CC(C)C[C@H](NC1CCNCC1)C(=O)OC1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPR3 P17342 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
TPSAB1 Q15661 2/20 0.38
TPSD1 Q9BZJ3 2/20 0.38
TPSG1 Q9NRR2 2/20 0.38
CYP19A1 P11511 1/20 0.37
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37
ANPEP P15144 2/20 0.37
LTA4H P09960 1/20 0.37
LAP3 P28838 1/20 0.37
NPEPPS P55786 1/20 0.37
ERAP2 Q6P179 1/20 0.37
ERAP1 Q9NZ08 1/20 0.37
EPHX1 P07099 4/20 0.36
POLB P06746 1/20 0.36
MAPK14 Q16539 2/20 0.33
MAPK13 O15264 1/20 0.33

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
SCHEMBL14991925 0.92 NPR3 (0.39) NPR3SMN1; SMN2GAAALOX15TPSAB1
Hydrochloric Acid SCHEMBL14857201 0.91 NPR3 (0.39) NPR3SMN1; SMN2GAAALOX15TPSAB1
SCHEMBL15004537 0.86 NPR3 (0.39) NPR3SMN1; SMN2GAAALOX15CYP19A1
Hydrochloric Acid SCHEMBL14856382 0.85 NPR3 (0.38) NPR3SMN1; SMN2GAAALOX15CYP19A1
SCHEMBL15000744 0.82 SIGMAR1 (0.43) TPSAB1TPSD1TPSG1CYP19A1EPHX1
SCHEMBL15000748 0.81 CYP19A1 (0.41) TPSAB1TPSD1TPSG1CYP19A1MMP2
SCHEMBL15000753 0.80 KMT2A (0.42) GAAPOLBMEN1KMT2A
SCHEMBL13061469 0.79 NPR3 (0.41) NPR3SMN1; SMN2TPSAB1TPSD1TPSG1
SCHEMBL15000747 0.79 CYP19A1 (0.40) SMN1; SMN2TPSAB1TPSD1TPSG1CYP19A1
SCHEMBL14856249 0.78 ALDH1A1 (0.44) GAALAP3EPHX1POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2580193-B1 BENZAMIDE DERIVATIVES AND THEIR USE AS HSP90 INHIBTORS CHROMA THERAPEUTICS LTD (GB) 2016-07-20 EP disclosed
US-20160193200-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS HSP90 INHIBTORS CHROMA THERAPEUTICS LTD. (GB) 2016-07-07 US disclosed
US-20160193200-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS HSP90 INHIBTORS CHROMA THERAPEUTICS LTD. (GB) 2016-07-07 US disclosed
US-9321718-B2 Benzamide derivatives and their use as HSP90 inhibtors CHROMA THERAPEUTICS LTD. (GB) 2016-04-26 US disclosed
US-9321718-B2 Benzamide derivatives and their use as HSP90 inhibtors CHROMA THERAPEUTICS LTD. (GB) 2016-04-26 US disclosed
US-20130143926-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS HSP90 INHIBTORS CHROMA THERAPEUTICS LTD. (GB) 2013-06-06 US disclosed
US-20130143926-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS HSP90 INHIBTORS CHROMA THERAPEUTICS LTD. (GB) 2013-06-06 US disclosed
WO-2011154708-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS HSP90 INHIBTORS CHROMA THERAPEUTICS LTD (GB) 2011-12-15 WO disclosed
US-20100317678-A1 HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE CHROMA THERAPEUTICS LTD. (GB) 2010-12-16 US disclosed
WO-2008053131-A1 HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE CHROMA THERAPEUTICS LTD. (GB) 2008-05-08 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 (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-20100317678-A1 HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE H1-2, HDAC1, H1-0 NPR3 3648/4885SMN1; SMN2 3701/4885GAA 2746/4885
US-20160193200-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS HSP90 INHIBTORS HSP90AB1, HSP90AA1, HSP90AB2P NPR3 454/4885SMN1; SMN2 3131/4885GAA 337/4885
US-20130143926-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS HSP90 INHIBTORS HSP90AB1, HSP90AA1, HSP90AB2P NPR3 454/4885SMN1; SMN2 3131/4885GAA 337/4885

“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.