SCHEMBL5922970

SCHEMBL5922970

COc1cc(C)nc(NC(=N)Nc2cccc(SC)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ MAPT P10636 4/20 0.43
▸ TP53 P04637 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HTT P42858 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.40
▸ STAT3 P40763 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.39

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
SCHEMBL5923148 0.82 HTT (0.48) RAB9ASMN1; SMN2MAPTTP53TSHR
SCHEMBL5923153 0.81 HTT (0.46) RAB9ANPC1SMN1; SMN2MAPTTSHR
SCHEMBL5923031 0.80 HTT (0.54) RAB9ASMN1; SMN2MAPTTP53TSHR
SCHEMBL6716900 0.78 MAPT (0.62) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL5923240 0.77 SMN1; SMN2 (0.50) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL5923220 0.76 MAPK1 (0.54) RAB9ASMN1; SMN2MAPTTSHRNPSR1
SCHEMBL5923234 0.75 SMN1; SMN2 (0.48) RAB9ANPC1SMN1; SMN2MAPTTSHR
SCHEMBL5923213 0.74 VSIR (0.50) MAPTTP53MEN1KMT2APOLB
SCHEMBL5922913 0.73 CYP1A2 (0.54) RAB9ANPC1SMN1; SMN2TP53MEN1
SCHEMBL10503870 0.73 CYP1A2 (0.46) RAB9ANPC1SMN1; SMN2MAPTTSHR

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-20060100225-A1 Heteroaryl guanidines; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2006-05-11 — — US claimed
US-20060100225-A1 Heteroaryl guanidines; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2006-05-11 — — 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-20060100225-A1 Heteroaryl guanidines; inhibitors of viral replication PIGS, GUCY1A1, GUCY1B1 RAB9A 410/4885NPC1 82/4885SMN1; SMN2 1226/4885

“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.

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