SCHEMBL2796641

SCHEMBL2796641

CC1(NCc2ccc3c(c2)OCCO3)CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 1/20 0.42
CRHBP P24387 1/20 0.42
KMT2A Q03164 1/20 0.42
CRHR2 Q13324 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
KDM4E B2RXH2 3/20 0.41
ALKBH5 Q6P6C2 1/20 0.41
FTO Q9C0B1 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
GAA P10253 1/20 0.38
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL2797107 0.81 ALDH1A1 (0.42) ALDH1A1KMT2ASMN1; SMN2KDM4EALKBH5
SCHEMBL2800444 0.80 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2CYP2C19
SCHEMBL3779648 0.79 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KDM4EALKBH5FTO
SCHEMBL3661079 0.78 PRMT5 (0.50) SMN1; SMN2CYP3A4CYP2D6CYP2C19
SCHEMBL4604214 0.72 TACR1 (0.44) ALDH1A1MEN1KMT2AKDM4ECYP3A4
SCHEMBL2798269 0.72 KEAP1 (0.44) ALDH1A1LMNAMAPT
SCHEMBL1253621 0.72 ALDH1A1 (0.51) ALDH1A1MEN1CRHBPKMT2ACRHR2
SCHEMBL14020819 0.71 KDM1A (0.51) ALDH1A1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL3775317 0.71 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL5513101 0.70 TSHR (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2ALKBH5

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 12 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-8524738-B2 Quinolinones and quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2013-09-03 US disclosed
US-8329694-B2 Quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
US-8329694-B2 Quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
US-8329694-B2 Quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-08-23 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
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 US disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 US disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 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-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF ROS1, NOX1, ARG1 ALDH1A1 2925/4885MEN1 1971/4885CRHBP 4529/4885
US-20120214990-A1 QUINOLINONES AND QUINOXALINONES AS ANTIBACTERIAL COMPOSITION NQO2, ASNS, NDUFS1 ALDH1A1 3142/4885MEN1 2461/4885CRHBP 4439/4885

“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.