Sugi Predict

Sugi Predict / Compounds / SCHEMBL1481444

SCHEMBL1481444

SCHEMBL1481444

CCn1cc(-c2ccc(-c3ccccc3)cc2)nc1C=Cc1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.43
▸ RAB9A P51151 5/20 0.43
▸ NR1H2 P55055 1/20 0.40
▸ NR1H3 Q13133 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ KDM4E B2RXH2 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ TLR8 Q9NR97 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL1481442 1.00 NPC1 (0.43) NPC1RAB9ANR1H2NR1H3HDAC3
SCHEMBL1482925 0.92 NPC1 (0.40) NPC1RAB9ANR1H2NR1H3HDAC3
SCHEMBL1482926 0.92 NPC1 (0.40) NPC1RAB9ANR1H2NR1H3HDAC3
SCHEMBL1482183 0.88 MEN1 (0.48) NPC1RAB9AHDAC3HDAC4HDAC1
SCHEMBL1480499 0.88 ALDH1A1 (0.44) NPC1RAB9AKDM4EMAPTTLR8
SCHEMBL6532905 0.88 ALDH1A1 (0.44) NPC1RAB9AKDM4EMAPTTLR8
SCHEMBL6532903 0.88 ALDH1A1 (0.44) NPC1RAB9AKDM4EMAPTTLR8
SCHEMBL1482187 0.88 MEN1 (0.48) NPC1RAB9AHDAC3HDAC4HDAC1
SCHEMBL1480504 0.88 ALDH1A1 (0.44) NPC1RAB9AKDM4EMAPTTLR8
SCHEMBL1481909 0.86 POLB (0.46) NPC1RAB9AHDAC3HDAC4HDAC1

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 3266/4885NR1H2 3082/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ NPC1 3792/4885RAB9A 3266/4885NR1H2 3082/4885

“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.