SCHEMBL5922968

SCHEMBL5922968

CCCCCOc1ccc(NC(=N)Nc2cccc(C)n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.62
▸ NPC1 O15118 4/20 0.62
▸ RAB9A P51151 4/20 0.62
▸ SMN1; SMN2 Q16637 4/20 0.62
▸ TP53 P04637 3/20 0.62
▸ LMNA P02545 3/20 0.62
▸ HSD17B10 Q99714 2/20 0.62
▸ GBA1 P04062 3/20 0.57
▸ CHRNB2 P17787 1/20 0.56
▸ CHRNB4 P30926 1/20 0.56
▸ CHRNA3 P32297 1/20 0.56
▸ CHRNA4 P43681 1/20 0.56
▸ PKM P14618 1/20 0.49
▸ KMT2A Q03164 2/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ FAAH O00519 6/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ PLA2G1B P04054 1/20 0.46
▸ ALOX12 P18054 1/20 0.46

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
SCHEMBL5923126 0.85 CHRNB2 (0.50) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL5923346 0.83 RAB9A (0.45) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL5923110 0.81 S1PR1 (0.46) MAPTTP53HSD17B10FAAHKDM4E
SCHEMBL5923381 0.81 MAPT (0.55) MAPTTP53LMNAHSD17B10KMT2A
SCHEMBL4983215 0.80 PTGES (0.56) SMN1; SMN2LMNAFAAHGAAL3MBTL1
SCHEMBL5923063 0.80 MAPT (0.54) MAPTTP53HSD17B10KMT2AFAAH
Bromide SCHEMBL5458791 0.79 PTGES (0.55) SMN1; SMN2LMNAFAAHGAAL3MBTL1
SCHEMBL5922903 0.79 KMT2A (0.72) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL5922942 0.79 ALDH1A1 (0.50) NPC1RAB9ASMN1; SMN2TP53PKM
SCHEMBL5923002 0.78 MAPT (0.57) MAPTNPC1RAB9ASMN1; SMN2TP53

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 MAPT 2982/4885NPC1 82/4885RAB9A 410/4885

“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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