SCHEMBL4918412

SCHEMBL4918412

CCc1ccc(-c2ccc(C(=O)Nc3cc4ccccc4s3)cc2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ NPC1 O15118 4/20 0.53
▸ RAB9A P51151 4/20 0.53
▸ TP53 P04637 3/20 0.45
▸ PTPN1 P18031 2/20 0.44
▸ PTPN2 P17706 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.43
▸ TRPV1 Q8NER1 3/20 0.42
▸ LMNA P02545 1/20 0.41
▸ HDAC2 Q92769 3/20 0.41
▸ SCD O00767 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ NCOR2 Q9Y618 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41

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
SCHEMBL5731572 0.82 SCD (0.65) SMN1; SMN2NPC1RAB9ATP53TRPV1
SCHEMBL14082998 0.81 NPC1 (0.55) SMN1; SMN2NPC1RAB9ATP53PTPN1
SCHEMBL12136747 0.77 NPC1 (0.59) SMN1; SMN2NPC1RAB9ATP53PTPN1
SCHEMBL14083022 0.76 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ATP53PTPN1
SCHEMBL14082994 0.75 NPC1 (0.62) SMN1; SMN2NPC1RAB9AHDAC6TRPV1
SCHEMBL23657790 0.75 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ATP53HDAC6
SCHEMBL14082986 0.74 NPC1 (0.59) SMN1; SMN2NPC1RAB9ATP53PTPN1
SCHEMBL14083029 0.74 NPC1 (0.65) SMN1; SMN2NPC1RAB9ATP53PTPN1
SCHEMBL14082993 0.74 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ATP53PTPN1
SCHEMBL14083028 0.74 RAB9A (0.61) SMN1; SMN2NPC1RAB9ATP53PTPN1

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-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2008-02-14 — — 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-20080039629-A1 Benzothniazole compositions and their use as ubiquition ligation inhibitors UBQLN1, NEDD4, UCHL5 SMN1; SMN2 4114/4885NPC1 3462/4885RAB9A 3771/4885

“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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