SCHEMBL2937839

SCHEMBL2937839

O=C(O)NCc1ccc2c(c1)OCCO2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
RAB9A P51151 3/20 0.58
HPGD P15428 3/20 0.58
HSD17B10 Q99714 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.57
NPC1 O15118 2/20 0.57
TDP1 Q9NUW8 1/20 0.56
GAA P10253 1/20 0.55
MEN1 O00255 1/20 0.55
LMNA P02545 1/20 0.55
MAPK1 P28482 1/20 0.55
MMP13 P45452 1/20 0.55
KMT2A Q03164 1/20 0.55
ALDH2 P05091 1/20 0.55
HTT P42858 1/20 0.55
TP53 P04637 1/20 0.54
CRHBP P24387 1/20 0.54
RECQL P46063 1/20 0.54
CRHR2 Q13324 1/20 0.54
HSP90AA1 P07900 1/20 0.52

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
SCHEMBL2937877 0.90 SMN1; SMN2 (0.70) ALDH1A1RAB9AHPGDHSD17B10SMN1; SMN2
SCHEMBL17468447 0.85 ALDH1A1 (0.63) ALDH1A1RAB9AHPGDHSD17B10SMN1; SMN2
SCHEMBL20564328 0.84 LMNA (0.65) ALDH1A1RAB9ASMN1; SMN2NPC1GAA
SCHEMBL3620383 0.83 RAB9A (0.70) ALDH1A1RAB9AHPGDHSD17B10SMN1; SMN2
SCHEMBL9120468 0.81 KDM4E (0.56) ALDH1A1RAB9AHPGDHSD17B10SMN1; SMN2
SCHEMBL10107729 0.80 ALDH2 (0.85) ALDH1A1RAB9AHPGDHSD17B10MEN1
Guabenxan SCHEMBL1172002 0.79 ALDH1A1 (0.56) ALDH1A1RAB9AHPGDHSD17B10SMN1; SMN2
SCHEMBL27032692 0.78 NPC1 (0.62) ALDH1A1RAB9ASMN1; SMN2NPC1TDP1
SCHEMBL12764451 0.78 ALDH1A1 (0.55) ALDH1A1RAB9AHPGDHSD17B10SMN1; SMN2
SCHEMBL179085 0.78 RAB9A (0.76) ALDH1A1RAB9AHPGDHSD17B10SMN1; 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-8524738-B2 Quinolinones and quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2013-09-03 US disclosed
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-08-23 US disclosed
EP-2468743-A1 Nitrogen-containing bicyclic compounds useful as antibacterial agents Toyama Chemical Co., Ltd. (JP) 2012-06-27 EP disclosed
EP-1836163-B1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2010-09-22 EP disclosed
US-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN BREITENSTEIN WERNER 2010-04-08 US disclosed
EP-1900732-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2008-03-19 EP 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-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN REN, ACE, PEPD ALDH1A1 494/4885RAB9A 287/4885HPGD 137/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 ALDH1A1 3142/4885RAB9A 125/4885HPGD 621/4885

“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.