SCHEMBL4955339

SCHEMBL4955339

COC(=O)c1ccccc1NC(=O)OC/C=C/c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
CYP1A2 P05177 2/20 0.57
MAPT P10636 2/20 0.57
CYP2C19 P33261 1/20 0.57
KMT2A Q03164 1/20 0.57
HPGD P15428 3/20 0.51
HTT P42858 1/20 0.51
KDM4E B2RXH2 8/20 0.50
ALDH1A1 P00352 8/20 0.50
HSD17B10 Q99714 3/20 0.50
POLB P06746 1/20 0.50
ATM Q13315 1/20 0.50
GAA P10253 2/20 0.49
TSHR P16473 2/20 0.49
MAPK10 P53779 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
ACLY P53396 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL4404884 0.88 TRPM2 (0.49) L3MBTL1SMN1; SMN2MAPTKMT2AKDM4E
SCHEMBL4404890 0.88 TRPM2 (0.49) L3MBTL1SMN1; SMN2MAPTKMT2AKDM4E
SCHEMBL3076696 0.85 RAB9A (0.53) L3MBTL1SMN1; SMN2CYP1A2MAPTCYP2C19
SCHEMBL3076701 0.85 RAB9A (0.53) L3MBTL1SMN1; SMN2CYP1A2MAPTCYP2C19
SCHEMBL27372482 0.81 ALDH1A1 (0.57) L3MBTL1SMN1; SMN2CYP1A2MAPTCYP2C19
SCHEMBL9147553 0.81 SMN1; SMN2 (0.50) L3MBTL1SMN1; SMN2MAPTKMT2AKDM4E
SCHEMBL9147560 0.81 SMN1; SMN2 (0.50) L3MBTL1SMN1; SMN2MAPTKMT2AKDM4E
SCHEMBL27372484 0.81 ALDH1A1 (0.57) L3MBTL1SMN1; SMN2CYP1A2MAPTCYP2C19
SCHEMBL9512857 0.79 KDM4E (0.56) L3MBTL1SMN1; SMN2CYP1A2MAPTCYP2C19
SCHEMBL10874779 0.78 NPC1 (0.68) L3MBTL1SMN1; SMN2CYP1A2MAPTCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664049-B1 SYNTHESIS OF PROTECTED PYRROLOBENZODIAZEPINES SPIROGEN LTD (GB) 2009-12-23 EP disclosed
US-7429658-B2 Synthesis of protected pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2008-09-30 US disclosed
US-7429658-B2 Synthesis of protected pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2008-09-30 US disclosed
US-7429658-B2 Synthesis of protected pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2008-09-30 US disclosed
US-20060264622-A1 Synthesis of protected pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2006-11-23 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-20060264622-A1 Synthesis of protected pyrrolobenzodiazepines SBDS, DRD2, GRIN2D L3MBTL1 4334/4885SMN1; SMN2 1882/4885CYP1A2 208/4885

“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.