SCHEMBL3002056

SCHEMBL3002056

CC(C)(C)OC(=O)ON(CCNC(=O)c1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.49
▸ TSHR P16473 1/20 0.46
▸ LMNA P02545 2/20 0.46
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ CD274 Q9NZQ7 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CACNA1B Q00975 1/20 0.43
▸ APBA1 Q02410 1/20 0.43
▸ SAE1 Q9UBE0 1/20 0.43
▸ UBA2 Q9UBT2 1/20 0.43

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
SCHEMBL13984508 0.92 KMT2A (0.56) KMT2AKDM4ETSHRLMNANPC1
SCHEMBL18712259 0.84 CACNA1B (0.43) KMT2ATSHRLMNARAB9ASMN1; SMN2
SCHEMBL3013865 0.82 KMT2A (0.41) KMT2ATSHRSMN1; SMN2CACNA1BAPBA1
SCHEMBL3017442 0.76 KMT2A (0.65) KMT2AKDM4ETSHRLMNANPC1
SCHEMBL3015924 0.76 KMT2A (0.57) KMT2AKDM4ELMNANPC1RAB9A
SCHEMBL30422422 0.74 TSHR (0.53) KMT2ATSHRALDH1A1
SCHEMBL254974 0.71 MAPK1 (0.70) KMT2ATSHRLMNARAB9ASMN1; SMN2
SCHEMBL10272436 0.71 KMT2A (0.77) KMT2AKDM4ETSHRLMNANPC1
SCHEMBL3013062 0.70 KMT2A (0.47) KMT2AKDM4ETSHRLMNARAB9A
SCHEMBL14045111 0.70 KMT2A (0.67) KMT2AKDM4ETSHRLMNANPC1

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
US-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 — — US disclosed
US-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 — — US disclosed
US-20170088549-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2017-03-30 — — US disclosed
EP-2170814-B1 ANTIBACTERIAL AGENTS ACHAOGEN INC (US) 2016-08-17 — — EP disclosed
EP-2170814-B1 ANTIBACTERIAL AGENTS ACHAOGEN INC (US) 2016-08-17 — — EP disclosed
EP-2662353-A2 Antibacterial agents Achaogen, Inc. (US) 2013-11-13 — — EP disclosed
EP-2662353-A2 Antibacterial agents Achaogen, Inc. (US) 2013-11-13 — — EP disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 — — US disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 — — US disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 — — 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 (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-20170088549-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 KMT2A 4779/4885KDM4E 4299/4885TSHR 4087/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 KMT2A 4779/4885KDM4E 4299/4885TSHR 4087/4885

“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.

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