SCHEMBL3822762

SCHEMBL3822762

CCOC(=O)c1oc(Cc2ccccc2)nc1C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 3/20 0.46
KDM4E B2RXH2 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
TARBP2 Q15633 1/20 0.44
AHR P35869 1/20 0.44
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.42

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
SCHEMBL14019446 0.89 TARBP2 (0.46) SMN1; SMN2LMNAMAPTRAB9AKDM4E
SCHEMBL3823043 0.88 MAPT (0.48) SMN1; SMN2LMNAMAPTRAB9AKDM4E
SCHEMBL14019445 0.87 ALDH1A1 (0.47) LMNAMAPTKDM4ENPSR1ALDH1A1
SCHEMBL4887366 0.87 SLC26A6 (0.46) SMN1; SMN2LMNAMAPTRAB9ANPC1
SCHEMBL14019449 0.86 HDAC4 (0.42) SMN1; SMN2LMNAMAPTRAB9AKDM4E
SCHEMBL14019448 0.84 SLC26A6 (0.44) SMN1; SMN2LMNAMAPTRAB9AKDM4E
SCHEMBL3821702 0.81 SMN1; SMN2 (0.48) SMN1; SMN2LMNAMAPTRAB9AKDM4E
SCHEMBL3828276 0.81 MEN1 (0.44) LMNAMAPTKDM4ENPSR1ALDH1A1
SCHEMBL9750673 0.77 SLC26A6 (0.47) SMN1; SMN2LMNAMAPTRAB9AKDM4E
SCHEMBL11622665 0.77 TARBP2 (0.63) SMN1; SMN2LMNAMAPTRAB9AKDM4E

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-2096111-A1 PYRAZOLES AND USE THEREOF AS DRUGS Japan Tobacco Inc. (JP) 2009-09-02 EP disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 US disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 US disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 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-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF PYGL, GYS2, G6PC1 SMN1; SMN2 4002/4885LMNA 2209/4885MAPT 2112/4885

“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.