SCHEMBL1676265

SCHEMBL1676265

COc1cc(-c2ccc(C=Cc3nc(-c4ccc(Cl)cc4Cl)cn3Cc3ccc(C(=O)O)cc3)cc2)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 6/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
CRHBP P24387 1/20 0.37
RAB9A P51151 1/20 0.37
CRHR2 Q13324 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PYGL P06737 1/20 0.36
P2RX3 P56373 1/20 0.36
P2RX7 Q99572 2/20 0.35
DRD2 P14416 1/20 0.34
PIK3CD O00329 1/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
KDR P35968 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CG P48736 1/20 0.34
BACE1 P56817 1/20 0.34
PRKDC P78527 1/20 0.34
PI4KB Q9UBF8 1/20 0.34

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
SCHEMBL1676262 1.00 SUV39H2 (0.38) SUV39H2KDM4ENPC1CRHBPRAB9A
SCHEMBL1676578 0.94 DRD2 (0.40) SUV39H2P2RX3P2RX7DRD2PIK3CD
SCHEMBL1676785 0.94 LTB4R (0.38) SUV39H2KDM4ENPC1CRHBPRAB9A
SCHEMBL1676782 0.94 LTB4R (0.38) SUV39H2KDM4ENPC1CRHBPRAB9A
SCHEMBL1676580 0.94 DRD2 (0.40) SUV39H2P2RX3P2RX7DRD2PIK3CD
SCHEMBL1676311 0.93 P2RX7 (0.38) SUV39H2KDM4EPYGLP2RX3P2RX7
SCHEMBL1676313 0.93 P2RX7 (0.38) SUV39H2KDM4EPYGLP2RX3P2RX7
SCHEMBL1676513 0.92 SUV39H2 (0.36) SUV39H2KDM4ENPC1CRHBPRAB9A
SCHEMBL1676511 0.92 SUV39H2 (0.36) SUV39H2KDM4ENPC1CRHBPRAB9A
SCHEMBL1676932 0.91 MAPT (0.40) SUV39H2KDM4ENPC1CRHBPRAB9A

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 SUV39H2 3740/4885KDM4E 733/4885NPC1 3228/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE SUV39H2 3740/4885KDM4E 733/4885NPC1 3228/4885

“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.