SCHEMBL3134660

SCHEMBL3134660

CCOC(=O)c1cc2cccc3c2n(c1=O)CCCO3

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
PDE3B Q13370 5/20 0.42
PDE3A Q14432 5/20 0.42
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
TSHR P16473 1/20 0.40
GLA P06280 2/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 1/20 0.40
CDC25B P30305 1/20 0.39
MCL1 Q07820 1/20 0.39
MIF P14174 1/20 0.39
PFKFB3 Q16875 1/20 0.39

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
SCHEMBL3127232 0.81 MCL1 (0.52) MAOAMAOBPDE3BPDE3AKDM4E
SCHEMBL3137864 0.78 KDM4E (0.60) MAOAMAOBPDE3BPDE3AKDM4E
SCHEMBL25346675 0.76 PARP1 (0.44) MAOAMAOBPDE3BPDE3AKDM4E
SCHEMBL18258133 0.74 MCL1 (0.43) ALDH1A1HSD17B10HPGDMCL1
SCHEMBL31513071 0.74 MAPT (0.48) ALDH1A1
SCHEMBL8694891 0.72 KDM4E (0.67) KDM4EALDH1A1MCL1
SCHEMBL17619351 0.72 MAOA (0.57) MAOAMAOBKDM4EALDH1A1HSD17B10
SCHEMBL6677783 0.68 TSHR (0.49) KDM4EALDH1A1HSD17B10TSHRGLA
SCHEMBL16236205 0.68 KDM4E (0.47) MAOAMAOBKDM4EALDH1A1HSD17B10
SCHEMBL20532732 0.67 MCL1 (0.36) KDM4EALDH1A1HSD17B10HPGDMCL1

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-1399445-B9 SUBSTITUTED PYRROLOQUINOLINES AND PYRIDOQUINOLINES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2010-07-21 EP disclosed
EP-1399445-B1 SUBSTITUTED PYRROLOQUINOLINES AND PYRIDOQUINOLINES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2009-08-05 EP disclosed
US-6777406-B2 SUCH AS PYRIDO(3,2,1-IJ)PYRROLO(3,4-C)QUINOLIN-8-ONE DERI-VATIVES; CENTRAL NERVOUS SYSTEM DISORDERS; GASTROINTESTINAL DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-17 US disclosed
US-20040092502-A1 SUBSTITUTED PYRROLOQUINOLINES AND PYRIDOQUINOLINES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY, (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2004-05-13 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 (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-20040092502-A1 SUBSTITUTED PYRROLOQUINOLINES AND PYRIDOQUINOLINES AS SEROTONIN AGONISTS AND ANTAGONISTS HTR1B, HTR2B, HTR1A MAOA 85/4885MAOB 26/4885PDE3B 192/4885

“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.