SCHEMBL5504072

SCHEMBL5504072

CC(C)N1C(=O)Cc2cc(N3C[C@H](C(N)=O)OC3=O)ccc21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.48
BMPR1B O00238 3/20 0.38
BMPR1A P36894 3/20 0.38
ACVRL1 P37023 3/20 0.38
ACVR1 Q04771 3/20 0.38
TGFBR1 P36897 1/20 0.38
MAOB P27338 4/20 0.34
LMNA P02545 1/20 0.34
PTGS1 P23219 1/20 0.34
CALML3 P27482 1/20 0.34
SDHA P31040 1/20 0.34
P2RX3 P56373 1/20 0.33
HTR6 P50406 1/20 0.32
F10 P00742 1/20 0.32
SLC9A1 P19634 1/20 0.31

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
SCHEMBL20989998 1.00 MAOA (0.48) MAOABMPR1BBMPR1AACVRL1ACVR1
SCHEMBL26972370 0.91 MAOA (0.40) MAOABMPR1BBMPR1AACVRL1ACVR1
SCHEMBL26972368 0.91 MAOA (0.40) MAOABMPR1BBMPR1AACVRL1ACVR1
SCHEMBL5509315 0.89 MAOA (0.45) MAOABMPR1BBMPR1AACVRL1ACVR1
SCHEMBL20990238 0.89 MAOA (0.45) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL5515235 0.89 MAOA (0.45) MAOABMPR1BBMPR1AACVRL1ACVR1
SCHEMBL5505545 0.89 MAOA (0.38) MAOABMPR1BBMPR1AACVRL1ACVR1
SCHEMBL5505548 0.89 MAOA (0.38) MAOABMPR1BBMPR1AACVRL1ACVR1
SCHEMBL5504881 0.89 MAOA (0.47) MAOAMAOBLMNAPTGS1CALML3
SCHEMBL5504875 0.89 MAOA (0.47) MAOAMAOBLMNAPTGS1CALML3

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
US-20060030609-A1 Oxazolidinones containing oxindoles as antibacterial agents LUEHR GARY W 2006-02-09 US claimed
US-11858946-B2 Small molecules active against gram-negative bacteria THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2024-01-02 US disclosed
US-11858946-B2 Small molecules active against gram-negative bacteria THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2024-01-02 US disclosed
US-20220112203-A1 SMALL MOLECULES ACTIVE AGAINST GRAM-NEGATIVE BACTERIA THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2022-04-14 US disclosed
US-10995097-B2 Small molecules active against gram-negative bacteria THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-05-04 US disclosed
US-20190135821-A1 SMALL MOLECULES ACTIVE AGAINST GRAM-NEGATIVE BACTERIA THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2019-05-09 US disclosed
EP-1781642-A1 OXAZOLIDINONES CONTAINING OXINDOLES AS ANTIBACTERIAL AGENTS Pharmacia & Upjohn Company LLC (US) 2007-05-09 EP disclosed
WO-2006016221-A1 OXAZOLIDINONES CONTAINING OXINDOLES AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-02-16 WO disclosed
US-20060030609-A1 Oxazolidinones containing oxindoles as antibacterial agents LUEHR GARY W 2006-02-09 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 (5 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-10995097-B2 Small molecules active against gram-negative bacteria PGLS, MRPL21, CLPP MAOA 466/4885BMPR1B 4139/4885BMPR1A 4567/4885
US-20220112203-A1 SMALL MOLECULES ACTIVE AGAINST GRAM-NEGATIVE BACTERIA PGLS, MRPL21, CLPP MAOA 701/4885BMPR1B 3891/4885BMPR1A 4419/4885
US-20060030609-A1 Oxazolidinones containing oxindoles as antibacterial agents OXA1L, OXSR1, OXER1 MAOA 766/4885BMPR1B 3285/4885BMPR1A 2586/4885
US-11858946-B2 Small molecules active against gram-negative bacteria PGLS, MRPL21, CLPP MAOA 701/4885BMPR1B 3891/4885BMPR1A 4419/4885
US-20190135821-A1 SMALL MOLECULES ACTIVE AGAINST GRAM-NEGATIVE BACTERIA PGLS, MRPL21, CLPP MAOA 466/4885BMPR1B 4139/4885BMPR1A 4567/4885

“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.