SCHEMBL4730671

SCHEMBL4730671

Cc1csc(Oc2ccc(N)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
TEAD4 Q15561 1/20 0.55
TDP1 Q9NUW8 5/20 0.53
MAPT P10636 5/20 0.53
POLB P06746 1/20 0.53
CYP3A4 P08684 2/20 0.48
TSHR P16473 2/20 0.48
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MITF O75030 1/20 0.44
GAA P10253 1/20 0.44
GFER P55789 1/20 0.44
NLRP1 Q9C000 1/20 0.44
NOD2 Q9HC29 1/20 0.44
MAOA P21397 2/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MAPK1 P28482 2/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL920207 0.80 ST14 (0.53) ALDH1A1SMN1; SMN2MAOB
SCHEMBL4731376 0.79 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2TEAD4TDP1MAPT
SCHEMBL2962405 0.77 AR (0.46) ALDH1A1SMN1; SMN2MAPTPOLBMEN1
SCHEMBL9264476 0.77 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPTPOLBTSHR
SCHEMBL9502056 0.77 TTR (0.37) ALDH1A1SMN1; SMN2TDP1MAPTNPC1
SCHEMBL9474057 0.77 LTA4H (0.47) MEN1KMT2A
SCHEMBL9473089 0.77 ST14 (0.32) ALDH1A1SMN1; SMN2TSHR
SCHEMBL9453084 0.76 DAO (0.41)
SCHEMBL9505056 0.75 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2
SCHEMBL9473980 0.75 SLC6A4 (0.40) ALDH1A1SMN1; SMN2TEAD4MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008045671-A1 MATRIX METALLOPROTEASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-04-17 WO disclosed
US-20080085893-A1 MATRIX METALLOPROTEASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-10 US disclosed
US-4198407-A Substituted 2-phenyl-1,2,4-triazine-3,5(2H,4H)-diones, and coccidiostatic agents containing same HOECHST AKTIENGESELLSCHAFT (DE) 1980-04-15 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-20080085893-A1 MATRIX METALLOPROTEASE INHIBITORS MMP3, MMP7, MMP9 ALDH1A1 341/4885SMN1; SMN2 1039/4885TEAD4 2085/4885

“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.