SCHEMBL3058592

SCHEMBL3058592

Cc1[c]sc(-c2cscn2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
METAP1 P53582 5/20 0.37
METAP2 P50579 3/20 0.37
IDO1 P14902 3/20 0.35
TDP2 O95551 1/20 0.33
HDAC6 Q9UBN7 3/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
FKBP1A P62942 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL7964249 0.67 TSHR (0.50) TSHRALDH1A1METAP1METAP2IDO1
SCHEMBL3058450 0.67 KDM4A (0.35) TSHRALDH1A1METAP1METAP2IDO1
SCHEMBL9286689 0.63 ALDH1A1 (0.43) TSHRALDH1A1METAP1METAP2KDM4E
SCHEMBL21474674 0.62 IDO1 (0.40) TSHRALDH1A1METAP1METAP2IDO1
SCHEMBL11612742 0.62 GFER (0.49) TSHRALDH1A1METAP1METAP2IDO1
SCHEMBL1555298 0.62 IDO1 (0.33) TSHRALDH1A1METAP1METAP2IDO1
SCHEMBL2405897 0.62 IDO1 (0.33) TSHRALDH1A1METAP1METAP2IDO1
SCHEMBL884175 0.61
SCHEMBL9279803 0.60 ENPP3 (0.43) TSHRALDH1A1METAP1METAP2TDP2
SCHEMBL7220708 0.60 LMNA (0.53) TSHRALDH1A1METAP1METAP2KDM4E

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-20100261758-A1 HETEROCYCLIC AMIDES FOR USE AS PHARMACEUTICALS NOVARTIS AG (CH) 2010-10-14 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-20100261758-A1 HETEROCYCLIC AMIDES FOR USE AS PHARMACEUTICALS HRH4, CNR1, CNR2 TSHR 384/4885ALDH1A1 347/4885METAP1 3766/4885

“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.