SCHEMBL6607532

SCHEMBL6607532

Cc1cc(NC(=O)OCc2ccccc2)ccc1C1(C#N)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
ATM Q13315 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MGLL Q99685 2/20 0.49
PTPN1 P18031 1/20 0.47
POLB P06746 1/20 0.45
KDM1A O60341 2/20 0.45
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
ENPP2 Q13822 2/20 0.45
ROCK2 O75116 1/20 0.44
RCOR1 Q9UKL0 1/20 0.44
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 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
SCHEMBL6610001 0.88 TP53 (0.51) NPC1RAB9AALDH1A1TP53MAPT
SCHEMBL6609524 0.87 TP53 (0.50) NPC1RAB9AALDH1A1TP53MAPT
SCHEMBL6607260 0.82 NPC1 (0.55) NPC1RAB9AALDH1A1TP53MAPT
SCHEMBL3175561 0.76 MGLL (0.60) NPC1RAB9AALDH1A1TP53MAPT
SCHEMBL31529668 0.75 NPC1 (0.61) NPC1RAB9AALDH1A1TP53MAPT
SCHEMBL16971106 0.74 MGLL (0.47) NPC1RAB9AALDH1A1TP53MAPT
SCHEMBL11766069 0.74 NPC1 (0.72) NPC1RAB9AALDH1A1TP53MAPT
SCHEMBL12583048 0.73 NPC1 (0.62) NPC1RAB9AALDH1A1TP53MAPT
SCHEMBL591401 0.73 MGLL (0.59) NPC1RAB9AALDH1A1TP53MAPT
SCHEMBL12325529 0.73 MGLL (0.59) NPC1RAB9AALDH1A1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1448536-A1 CYCLOPROPYL-CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF Merck & Co., Inc. (US) 2004-08-25 EP disclosed
US-6686363-B2 EFFECTIVE AGAINST MULTI-RESISTANT BACTERIA KYORIN PHARMACEUTICAL CO., LTD. (JP) 2004-02-03 US disclosed
US-20030225107-A1 CYCLOPROPYL CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK SHARP & DOHME CORP. 2003-12-04 US disclosed
WO-2003048136-A1 CYCLOPROPYL HEXANE CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK & CO., INC. (US) 2003-06-12 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-20030225107-A1 CYCLOPROPYL CONTAINING OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF ALAD, OXA1L, ECI1 NPC1 1524/4885RAB9A 2945/4885ALDH1A1 824/4885

“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.