SCHEMBL1676793

SCHEMBL1676793

COC(=O)c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2/C=C/c2ccc(-c3cccnc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.47
DRD2 P14416 2/20 0.46
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
CYP19A1 P11511 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
HDAC6 Q9UBN7 2/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
KDR P35968 1/20 0.39
TEK Q02763 1/20 0.39
MARS1 P56192 1/20 0.39
NLRP3 Q96P20 1/20 0.38
SMPD1 P17405 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NR4A2 P43354 1/20 0.38
TGM2 P21980 1/20 0.38
TBXA2R P21731 1/20 0.38

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
SCHEMBL1676796 1.00 SLC2A1 (0.47) SLC2A1DRD2MAPTPOLBCYP19A1
SCHEMBL1676834 0.91 MARS1 (0.44) HDAC6HDAC4HDAC1KDRTEK
SCHEMBL1676831 0.91 MARS1 (0.44) HDAC6HDAC4HDAC1KDRTEK
SCHEMBL1482391 0.90 DRD2 (0.48) DRD2MAPTPOLBNLRP3TBXA2R
SCHEMBL1482394 0.90 DRD2 (0.48) DRD2MAPTPOLBNLRP3TBXA2R
SCHEMBL1676516 0.89 DRD2 (0.48) DRD2MAPTPOLBHDAC6NLRP3
SCHEMBL1676512 0.89 DRD2 (0.48) DRD2MAPTPOLBHDAC6NLRP3
SCHEMBL1676746 0.88 DRD2 (0.47) DRD2MAPTPOLBHDAC6NLRP3
SCHEMBL1676749 0.88 DRD2 (0.47) DRD2MAPTPOLBHDAC6NLRP3
SCHEMBL1481338 0.88 DRD2 (0.46) DRD2MAPTPOLBNLRP3TBXA2R

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 SLC2A1 243/4885DRD2 4873/4885MAPT 3251/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE SLC2A1 243/4885DRD2 4873/4885MAPT 3251/4885

“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.