SCHEMBL661076

SCHEMBL661076

O=C(CN1C=CC(SCc2cc(C3=CN(CC(=O)c4cccs4)C=CC3)n[nH]2)C=C1)c1cccs1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CASP1 P29466 1/20 0.31
HTT P42858 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL298661 0.81 KMT2A (0.37) ALDH1A1GAAMAPTMAPK1GRIN1
SCHEMBL660685 0.79 ALDH1A1 (0.40) ALDH1A1GAAMAPTMAPK1GRIN1
SCHEMBL661279 0.77 HPGD (0.37) ALDH1A1MAPTMAPK1KDM4EHTT
SCHEMBL297726 0.74 MAPT (0.38) ALDH1A1MAPTMAPK1GRIN1GRIN2B
SCHEMBL297066 0.69 SMN1; SMN2 (0.37) ALDH1A1GAAMAPTMAPK1GRIN1
SCHEMBL287429 0.67 NPSR1 (0.36) ALDH1A1GAAMAPTMAPK1GRIN1
SCHEMBL7808911 0.66 ALDH1A1 (0.48) ALDH1A1MAPTMAPK1KDM4ECASP1
SCHEMBL659986 0.66 NPC1 (0.35) ALDH1A1MAPTMAPK1GRIN1GRIN2B
SCHEMBL287279 0.66 GRM5 (0.39) ALDH1A1GAAMAPTMAPK1KDM4E
SCHEMBL661697 0.66 DAO (0.35) ALDH1A1GAAMAPTMAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 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-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS AGER, REN, AGT ALDH1A1 676/4885GAA 194/4885MAPT 61/4885

“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.