SCHEMBL1481636

SCHEMBL1481636

CCn1cc(-c2ccc(Cl)cc2Cl)nc1/C=C/c1ccc2cc(OCCCC(=O)OC)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
PDE3B Q13370 6/20 0.38
PDE3A Q14432 6/20 0.38
P2RY12 Q9H244 5/20 0.38
PDE2A O00408 2/20 0.38
CNR1 P21554 2/20 0.38
CYSLTR2 Q9NS75 3/20 0.38
CYSLTR1 Q9Y271 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTGS2 P35354 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
ADORA2A P29274 1/20 0.35
POLB P06746 1/20 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
SCHEMBL1481638 1.00 MAPT (0.43) MAPTPDE3BPDE3AP2RY12PDE2A
SCHEMBL1481219 0.93 MAPT (0.42) MAPTPDE3BPDE3AP2RY12PDE2A
SCHEMBL1481218 0.93 MAPT (0.42) MAPTPDE3BPDE3AP2RY12PDE2A
SCHEMBL1480973 0.92 FFAR4 (0.41) PDE3BPDE3AP2RY12PDE2ACNR1
SCHEMBL1480975 0.92 FFAR4 (0.41) PDE3BPDE3AP2RY12PDE2ACNR1
SCHEMBL6532509 0.90 MAPT (0.40) MAPTPDE3BPDE3AP2RY12CNR1
SCHEMBL6532505 0.90 MAPT (0.40) MAPTPDE3BPDE3AP2RY12CNR1
SCHEMBL1480516 0.90 CYSLTR2 (0.42) MAPTPDE3BPDE3AP2RY12CNR1
SCHEMBL1480512 0.90 CYSLTR2 (0.42) MAPTPDE3BPDE3AP2RY12CNR1
SCHEMBL1480939 0.86 PPARA (0.43) MAPTCNR1CYSLTR2CYSLTR1ALDH1A1

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-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
US-20040192743-A1 Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2004-09-30 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-20040192743-A1 Substituted azole derivatives as therapeutic agents PTPRS, PTPRO, PTPRJ MAPT 3558/4885PDE3B 183/4885PDE3A 272/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ MAPT 3558/4885PDE3B 183/4885PDE3A 272/4885

“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.