SCHEMBL14991925

SCHEMBL14991925

CC(C)C[C@H](NC1CCNC1)C(=O)OC1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPR3 P17342 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
ANPEP P15144 2/20 0.36
LTA4H P09960 1/20 0.36
LAP3 P28838 1/20 0.36
NPEPPS P55786 1/20 0.36
ERAP2 Q6P179 1/20 0.36
ERAP1 Q9NZ08 1/20 0.36
POLB P06746 1/20 0.34
TPSAB1 Q15661 2/20 0.34
TPSD1 Q9BZJ3 2/20 0.34
TPSG1 Q9NRR2 2/20 0.34
EPHX1 P07099 3/20 0.33
KCNH2 Q12809 1/20 0.33
CYP19A1 P11511 1/20 0.33
MAPK14 Q16539 2/20 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
Hydrochloric Acid SCHEMBL14857201 0.99 NPR3 (0.39) NPR3SMN1; SMN2GAAALOX15MMP2
SCHEMBL15004537 0.94 NPR3 (0.39) NPR3SMN1; SMN2GAAALOX15MMP2
Hydrochloric Acid SCHEMBL14856382 0.93 NPR3 (0.38) NPR3SMN1; SMN2GAAALOX15MMP2
SCHEMBL8205617 0.92 NPR3 (0.41) NPR3SMN1; SMN2GAAALOX15MMP2
SCHEMBL13543467 0.76 NPR3 (0.46) NPR3SMN1; SMN2GAAALOX15MMP2
SCHEMBL14193790 0.76 NPR3 (0.48) NPR3SMN1; SMN2GAAALOX15MMP2
SCHEMBL14203810 0.75 NPR3 (0.47) NPR3SMN1; SMN2GAAALOX15MMP2
SCHEMBL22766587 0.75 NPR3 (0.45) NPR3SMN1; SMN2GAAALOX15MMP2
SCHEMBL19217057 0.75 NPR3 (0.45) NPR3SMN1; SMN2GAAALOX15MMP2
SCHEMBL13061469 0.75 NPR3 (0.41) NPR3SMN1; SMN2MMP2MMP9ANPEP

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 9 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
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

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-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.