SCHEMBL16975238

SCHEMBL16975238

CCNC(=O)Nc1nc2cc(-c3cnc(NS(=O)(=O)CC4CCCCO4)nc3)cc(-c3ccc(C)cn3)c2s1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL16975234 1.00 KDM4E (0.37) KDM4EMEN1NPC1ALDH1A1LMNA
SCHEMBL16975230 0.87 NPC1 (0.41) NPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL16975198 0.85 NPC1 (0.39) NPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL16975217 0.85 NPC1 (0.38) NPC1RAB9ASMN1; SMN2
SCHEMBL16975211 0.85 NPC1 (0.39) NPC1RAB9ASMN1; SMN2
SCHEMBL16975344 0.84 — —
SCHEMBL16975343 0.84 — —
SCHEMBL16975277 0.84 NPC1 (0.41) NPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL16975219 0.83 ABL1 (0.38) NPC1RAB9ASMN1; SMN2
SCHEMBL16975471 0.82 NPC1 (0.40) NPC1MAPK1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170007615-A1 Antibacterial Compounds SPERO GYRASE, INC. 2017-01-12 — — US claimed
EP-3102203-A2 ANTIBACTERIAL COMBINATIONS COMPRISING POLYMYXIN SPERO GYRASE, INC. (US) 2016-12-14 — — EP claimed
WO-2015114452-A2 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD (GB) 2015-08-06 — — WO claimed
US-20170007615-A1 Antibacterial Compounds SPERO GYRASE, INC. 2017-01-12 — — US disclosed
EP-3102203-A2 ANTIBACTERIAL COMBINATIONS COMPRISING POLYMYXIN SPERO GYRASE, INC. (US) 2016-12-14 — — EP disclosed
WO-2015114452-A2 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD (GB) 2015-08-06 — — 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 (1 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-20170007615-A1 Antibacterial Compounds CLPP, MRPL21, RELA KDM4E 4020/4885MEN1 4761/4885NPC1 1397/4885

“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.

Send feedback