SCHEMBL1676254

SCHEMBL1676254

COC(=O)c1ccc(Cn2cc(-c3ccc(Cl)cc3)nc2/C=C/c2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.49
SIRT5 Q9NXA8 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
AURKA O14965 1/20 0.41
TBXA2R P21731 1/20 0.40
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
PLAT P00750 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
S1PR5 Q9H228 1/20 0.39
P2RX3 P56373 2/20 0.38
ALDH1A1 P00352 2/20 0.38
ALDH1A3 P47895 1/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL1676256 1.00 DRD2 (0.49) DRD2SIRT5SMN1; SMN2AURKATBXA2R
SCHEMBL1481344 0.92 DRD2 (0.44) DRD2SIRT5SMN1; SMN2AURKATBXA2R
SCHEMBL1481346 0.92 DRD2 (0.44) DRD2SIRT5SMN1; SMN2AURKATBXA2R
SCHEMBL1676036 0.90 MEN1 (0.45) HDAC1HDAC6S1PR5ALDH1A1HPGD
SCHEMBL1676041 0.90 MEN1 (0.45) HDAC1HDAC6S1PR5ALDH1A1HPGD
SCHEMBL1482423 0.84 DRD2 (0.46) DRD2SIRT5SMN1; SMN2TBXA2RHDAC1
SCHEMBL27688373 0.84 DRD2 (0.46) DRD2SMN1; SMN2TBXA2RALDH1A1ALDH1A3
SCHEMBL1482424 0.84 DRD2 (0.46) DRD2SIRT5SMN1; SMN2TBXA2RHDAC1
SCHEMBL1676615 0.83 HDAC1 (0.38) DRD2SMN1; SMN2PLGPLAUPLAT
SCHEMBL1676613 0.83 HDAC1 (0.38) DRD2SMN1; SMN2PLGPLAUPLAT

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 DRD2 4873/4885SIRT5 2338/4885SMN1; SMN2 4417/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE DRD2 4873/4885SIRT5 2338/4885SMN1; SMN2 4417/4885

“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.