SCHEMBL4900149

SCHEMBL4900149

CNCc1sc(-c2ccccc2)nc1C

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
LMNA P02545 4/20 0.49
TP53 P04637 3/20 0.49
THRB P10828 2/20 0.49
NPC1 O15118 2/20 0.49
HDAC1 Q13547 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
FFAR1 O14842 1/20 0.45
PPARD Q03181 1/20 0.45

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
SCHEMBL6840453 0.82 L3MBTL1 (0.55) SMN1; SMN2ALDH1A1MAPTGAAHPGD
SCHEMBL13883778 0.81 FFAR1 (0.47) SMN1; SMN2MAPTGAAHPGDLMNA
SCHEMBL13883865 0.81 MAPT (0.54) ALDH1A1MAPTGAANPC1RAB9A
SCHEMBL1569202 0.81 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1MAPTGAAHPGD
SCHEMBL28155818 0.81 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1MAPTGAAHPGD
SCHEMBL379217 0.81 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1MAPTGAAHPGD
SCHEMBL2413521 0.81 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1MAPTGAAHPGD
SCHEMBL3077683 0.81 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1MAPTGAAHPGD
SCHEMBL7693031 0.79 ALOX5 (0.57) SMN1; SMN2MAPTHPGDLMNATP53
SCHEMBL13197099 0.78 FBP1 (0.50) SMN1; SMN2ALDH1A1MAPTGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242661-A1 Novel compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2008-10-02 US disclosed
WO-2008071650-A2 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-06-19 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 (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-20080242661-A1 Novel compounds useful for the treatment of degenerative & inflammatory diseases PDE4A, PDE7B, PDE4B SMN1; SMN2 2362/4885ALDH1A1 130/4885MAPT 3196/4885

“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.