SCHEMBL1676456

SCHEMBL1676456

CCOC(=O)c1ccc(-n2cc(-c3ccc(F)cc3F)nc2/C=C/c2ccc(Br)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
ATM Q13315 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
CHRNA7 P36544 1/20 0.37
HDAC1 Q13547 2/20 0.36
KDM1A O60341 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PTGER1 P34995 3/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 2/20 0.35

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
SCHEMBL1676459 1.00 MAPT (0.39) MAPTATMGABRA2GABRB2NPC1
SCHEMBL1676323 0.84 GABRA2 (0.46) MAPTATMGABRA2GABRB2NPC1
SCHEMBL1676324 0.84 GABRA2 (0.46) MAPTATMGABRA2GABRB2NPC1
SCHEMBL1677004 0.84 NR1H2 (0.48) GABRA2GABRB2CHRNA7
SCHEMBL1677000 0.84 NR1H2 (0.48) GABRA2GABRB2CHRNA7
SCHEMBL1481693 0.78 DRD2 (0.43) MAPTHDAC1KDM1AHDAC2HDAC11
SCHEMBL1481689 0.78 DRD2 (0.43) MAPTHDAC1KDM1AHDAC2HDAC11
SCHEMBL1676217 0.75 F2RL3 (0.36) MAPTNPC1RAB9AHDAC1KDM1A
SCHEMBL1676213 0.75 F2RL3 (0.36) MAPTNPC1RAB9AHDAC1KDM1A
SCHEMBL9678915 0.72 CA12 (0.56) MAPTNPC1RAB9ASIRT2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US disclosed
EP-1730118-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-12-13 EP disclosed
WO-2005080346-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-09-01 WO disclosed
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 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 (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-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE MAPT 3251/4885ATM 2584/4885GABRA2 3342/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE MAPT 3251/4885ATM 2584/4885GABRA2 3342/4885

“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.