SCHEMBL1676952

SCHEMBL1676952

COC(=O)c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2/C=C/c2ccc(-c3ccc(C(C)(C)C)cc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.46
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45
NLRP3 Q96P20 2/20 0.39
EGFR P00533 1/20 0.38
TBXA2R P21731 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
PPARG P37231 1/20 0.37
KMT2A Q03164 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
ADCY6 O43306 1/20 0.37
ADCY3 O60266 1/20 0.37
ADCY9 O60503 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
SCHEMBL1676955 1.00 DRD2 (0.46) DRD2MAPTPOLBNLRP3EGFR
SCHEMBL1482424 0.93 DRD2 (0.46) DRD2MAPTPOLBNLRP3EGFR
SCHEMBL1482423 0.93 DRD2 (0.46) DRD2MAPTPOLBNLRP3EGFR
SCHEMBL1676512 0.91 DRD2 (0.48) DRD2MAPTPOLBNLRP3TBXA2R
SCHEMBL1676284 0.91 KDM4E (0.44) KDM4EMEN1HPGDPPARGKMT2A
SCHEMBL1676281 0.91 KDM4E (0.44) KDM4EMEN1HPGDPPARGKMT2A
SCHEMBL1676516 0.91 DRD2 (0.48) DRD2MAPTPOLBNLRP3TBXA2R
SCHEMBL1676746 0.90 DRD2 (0.47) DRD2MAPTPOLBNLRP3TBXA2R
SCHEMBL1676749 0.90 DRD2 (0.47) DRD2MAPTPOLBNLRP3TBXA2R
Methane SCHEMBL1677187 0.89 POLB (0.47) 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 2 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
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 4873/4885MAPT 3251/4885POLB 4497/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE DRD2 4873/4885MAPT 3251/4885POLB 4497/4885

“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.