Sugi Predict

Sugi Predict / Compounds / SCHEMBL1481098

SCHEMBL1481098

SCHEMBL1481098

CCn1cc(-c2ccc(C(=O)NC)cc2)nc1C=Cc1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HDAC6 Q9UBN7 9/20 0.39
▸ HDAC1 Q13547 8/20 0.39
▸ KDM1A O60341 4/20 0.39
▸ BRD4 O60885 1/20 0.37
▸ BRD2 P25440 1/20 0.37
▸ BRD3 Q15059 1/20 0.37
▸ BRDT Q58F21 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ HDAC8 Q9BY41 2/20 0.37
▸ MAPT P10636 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36

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
SCHEMBL1481095 1.00 NPC1 (0.42) NPC1RAB9ASMN1; SMN2POLBKDM4E
SCHEMBL1483176 0.89 MET (0.41) NPC1RAB9ASMN1; SMN2HDAC6HDAC1
SCHEMBL1483177 0.89 MET (0.41) NPC1RAB9ASMN1; SMN2HDAC6HDAC1
SCHEMBL1481912 0.88 POLB (0.46) NPC1RAB9ASMN1; SMN2POLBKDM4E
SCHEMBL1481909 0.88 POLB (0.46) NPC1RAB9ASMN1; SMN2POLBKDM4E
SCHEMBL1481300 0.87 TLR8 (0.48) NPC1RAB9ASMN1; SMN2POLBKDM4E
SCHEMBL1481299 0.87 TLR8 (0.48) NPC1RAB9ASMN1; SMN2POLBKDM4E
SCHEMBL1480964 0.81 PPARA (0.42) KDM4EALDH1A1GAAHDAC6HDAC1
SCHEMBL1480967 0.81 PPARA (0.42) KDM4EALDH1A1GAAHDAC6HDAC1
SCHEMBL1480879 0.81 ERBB2 (0.37) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 — — US disclosed
EP-1594847-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS Transtech Pharma, Inc. (US) 2005-11-16 — — EP disclosed
WO-2004071447-A9 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC (US) 2005-10-13 — — WO disclosed
US-20040192743-A1 Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2004-09-30 — — US disclosed
WO-2004071447-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC. (US) 2004-08-26 — — WO 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 (2 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-20040192743-A1 Substituted azole derivatives as therapeutic agents PTPRS, PTPRO, PTPRJ NPC1 3792/4885RAB9A 3266/4885SMN1; SMN2 4575/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ NPC1 3792/4885RAB9A 3266/4885SMN1; SMN2 4575/4885

“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.