SCHEMBL3120962

SCHEMBL3120962

CCOC(=O)c1[nH]c(C)c(Cl)c1Cl

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
HPGD P15428 3/20 0.58
ALDH1A1 P00352 5/20 0.54
MAPK1 P28482 3/20 0.50
LMNA P02545 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TSHR P16473 2/20 0.49
HTT P42858 2/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
BRD4 O60885 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL5322610 0.93 ALDH1A1 (0.57) CYP1A2CYP2C9CYP2C19HPGDALDH1A1
SCHEMBL3036660 0.87 CYP1A2 (0.70) CYP1A2CYP2C9CYP2C19HPGDALDH1A1
SCHEMBL3120027 0.84 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19HPGDALDH1A1
SCHEMBL509748 0.84 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19HPGDALDH1A1
SCHEMBL4791633 0.84 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19HPGDALDH1A1
Bromide SCHEMBL5263962 0.82 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19HPGDALDH1A1
SCHEMBL3281947 0.81 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19HPGDALDH1A1
SCHEMBL3122233 0.81 SMN1; SMN2 (0.57) CYP1A2CYP2C9CYP2C19HPGDALDH1A1
SCHEMBL3116420 0.80 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19HPGDALDH1A1
SCHEMBL3405307 0.80 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1853586-B1 ANTIBACTERIAL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2013-07-24 EP disclosed
US-20130150366-A1 CHEMICAL COMPOUNDS ASTRAZENECA, INTELLECTUAL PROPERTY (GB) 2013-06-13 US disclosed
US-8399489-B2 Antibacterial piperdine derivatives ASTRAZENECA AB (GB) 2013-03-19 US disclosed
US-20100179150-A1 ANTIBACTERIAL PIPERDINE DERIVATIVES ASTRAZENECA AB (SE) 2010-07-15 US disclosed
US-7709503-B2 Pyrrol derivatives with antibacterial activity ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-20090253671-A1 TRICYCLIC DERIVATIVES OF AZETIDINE AND PYRROLE WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2009-10-08 US disclosed
US-20080269214-A1 Pyrrole Derivatives as Dna Gyrase and Topoisomerase Inhibitors ASTRAZENECA AB (SE) 2008-10-30 US disclosed
US-20080161306-A1 Pyrrole Derivatives as Dna Gyrase and Topoisomerase Inhibitors ASTRAZENECA AB (SE) 2008-07-03 US disclosed
EP-1861393-A2 PYRROLE DERIVATIVES AS DNA GYRASE AND TOPOISOMERASE INHIBITORS AstraZeneca AB (SE) 2007-12-05 EP disclosed
EP-1856044-A2 PYRROLE DERIVATIVES AS DNA GYRASE AND TOPOISOMERASE INHIBITORS AstraZeneca AB (SE) 2007-11-21 EP disclosed
EP-1853586-A1 ANTIBACTERIAL PIPERIDINE DERIVATIVES AstraZeneca AB (SE) 2007-11-14 EP disclosed
EP-1664025-B1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2007-09-19 EP disclosed
US-20060223801-A1 Pyrrol derivatives with antibacterial activity ASTRAZENECA AB (SE) 2006-10-05 US disclosed
WO-2006092599-A2 PYRROLE DERIVATIVES AS DNA GYRASE AND TOPOISOMERASE INHIBITORS ASTRAZENECA AB (SE) 2006-09-08 WO disclosed
WO-2006087543-A1 ANTIBACTERIAL PIPERIDINE DERIVATIVES ASTRAZENECA AB (SE) 2006-08-24 WO disclosed
WO-2006087548-A2 PYRROLE DERIVATIVES AS DNA GYRASE AND TOPOISOMERASE INHIBITORS ASTRAZENECA AB (SE) 2006-08-24 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 (6 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-20060223801-A1 Pyrrol derivatives with antibacterial activity PEF1, PEPD, PELP1 CYP1A2 675/4885CYP2C9 439/4885CYP2C19 147/4885
US-20090253671-A1 TRICYCLIC DERIVATIVES OF AZETIDINE AND PYRROLE WITH ANTIBACTERIAL ACTIVITY AZI2, AAAS, QDPR CYP1A2 154/4885CYP2C9 21/4885CYP2C19 5/4885
US-20130150366-A1 CHEMICAL COMPOUNDS MRPL21, NISCH, CFTR CYP1A2 33/4885CYP2C9 6/4885CYP2C19 7/4885
US-20080269214-A1 Pyrrole Derivatives as Dna Gyrase and Topoisomerase Inhibitors TOP1, TOP2A, TOP2B CYP1A2 365/4885CYP2C9 215/4885CYP2C19 118/4885
US-20100179150-A1 ANTIBACTERIAL PIPERDINE DERIVATIVES PIR, HAMP, AMPD2 CYP1A2 602/4885CYP2C9 154/4885CYP2C19 79/4885
US-20080161306-A1 Pyrrole Derivatives as Dna Gyrase and Topoisomerase Inhibitors TOP1, TOP2A, TOP2B CYP1A2 397/4885CYP2C9 183/4885CYP2C19 116/4885

“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.