SCHEMBL12989481

SCHEMBL12989481

CC(=O)CCNC(=O)c1ccc(C=O)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA4 P22459 1/20 0.36
KCNA1 Q09470 1/20 0.36
GPR84 Q9NQS5 3/20 0.35
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
ALOX15 P16050 2/20 0.33
HTR2C P28335 1/20 0.33
HIF1A Q16665 1/20 0.33
EPAS1 Q99814 1/20 0.33
KDM4E B2RXH2 3/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HDAC1 Q13547 2/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC10 Q969S8 1/20 0.31

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
SCHEMBL9466553 0.79 HIF1A (0.33) KCNA4KCNA1DRD2DRD3ALOX15
SCHEMBL13042362 0.71 HDAC3 (0.57) KDM4ELMNAHDAC1HDAC2HDAC3
SCHEMBL12989840 0.70 EPHX2 (0.52) NPC1LMNARAB9ASMN1; SMN2ALDH1A1
SCHEMBL12999544 0.66 LMNA (0.45) LMNAHRH3
SCHEMBL10708907 0.65 PRSS1 (0.66) NPC1LMNARAB9ASMN1; SMN2HDAC1
SCHEMBL27823636 0.64 POLB (0.66) NPC1LMNARAB9ASMN1; SMN2HDAC1
SCHEMBL13313836 0.64 HDAC3 (0.55) HIF1AKDM4ENPC1LMNARAB9A
SCHEMBL7845571 0.64 MAPT (0.46) LMNASMN1; SMN2HDAC1HDAC2HDAC3
SCHEMBL7848395 0.64 LMNA (0.50) LMNA
SCHEMBL18405548 0.62 NPC1 (0.57) NPC1RAB9ASMN1; SMN2HDAC6ALDH1A1

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
US-8470776-B2 Conjugates of disorazoles and their derivatives with cell-binding molecules, novel disorazole derivatives, processes of manufacturing and uses thereof AETERNA ZENTARIS GMBH (DE) 2013-06-25 US disclosed
US-20100323963-A1 CONJUGATES OF DISORAZOLES AND THEIR DERIVATIVES WITH CELL-BINDING MOLECULES, NOVEL DISORAZOLE DERIVATIVES, PROCESSES OF MANUFACTURING AND USES THEREOF AETERNA ZENTARIS GMBH (DE) 2010-12-23 US disclosed
US-20100317580-A1 CONJUGATES OF DISORAZOLES AND THEIR DERIVATIVES WITH CELL-BINDING MOLECULES, NOVEL DISORAZOLE DERIVATIVES, PROCESSES OF MANUFACTURING AND USES THEREOF AETERNA ZENTARIS GMBH (DE) 2010-12-16 US disclosed
US-7741277-B2 Conjugates of disorazoles and their derivatives with cell-binding molecules, novel disorazole derivatives, processes of manufacturing and uses thereof AETERNA ZENTARIS GMBH (DE) 2010-06-22 US disclosed
US-20080090758-A1 CONJUGATES OF DISORAZOLES AND THEIR DERIVATIVES WITH CELL-BINDING MOLECULES, NOVEL DISORAZOLE DERIVATIVES, PROCESSES OF MANUFACTURING AND USES THEREOF AETERNA ZENTARIS GMBH (DE) 2008-04-17 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 (3 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-20100323963-A1 CONJUGATES OF DISORAZOLES AND THEIR DERIVATIVES WITH CELL-BINDING MOLECULES, NOVEL DISORAZOLE DERIVATIVES, PROCESSES OF MANUFACTURING AND USES THEREOF EPCAM, CD99, PTMS KCNA4 2732/4885KCNA1 2754/4885GPR84 627/4885
US-20100317580-A1 CONJUGATES OF DISORAZOLES AND THEIR DERIVATIVES WITH CELL-BINDING MOLECULES, NOVEL DISORAZOLE DERIVATIVES, PROCESSES OF MANUFACTURING AND USES THEREOF EPCAM, CD99, PTMS KCNA4 2732/4885KCNA1 2754/4885GPR84 627/4885
US-20080090758-A1 CONJUGATES OF DISORAZOLES AND THEIR DERIVATIVES WITH CELL-BINDING MOLECULES, NOVEL DISORAZOLE DERIVATIVES, PROCESSES OF MANUFACTURING AND USES THEREOF EPCAM, CD99, PTMS KCNA4 2732/4885KCNA1 2754/4885GPR84 627/4885

“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.