SCHEMBL5613619

SCHEMBL5613619

Cc1nn(-c2ccccc2C(F)(F)F)nc1CBr

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ HSD11B1 P28845 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ HCAR1 Q9BXC0 2/20 0.35
▸ POLB P06746 1/20 0.33
▸ RBP4 P02753 1/20 0.33
▸ DRD4 P21917 1/20 0.33

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
SCHEMBL5613622 0.73 MAPT (0.43) TDP1ALDH1A1MAPTLMNACYP1A2
SCHEMBL203832 0.73 KDM4E (0.48) ALDH1A1LMNACYP1A2CYP3A4MAPK1
SCHEMBL24695999 0.69 HSD11B1 (0.44) TDP1ALDH1A1MAPTKMT2AMEN1
SCHEMBL27048495 0.67 AADAT (0.43) TDP1ALDH1A1MAPTKMT2AMEN1
SCHEMBL9768133 0.67 GABRB3 (0.46) —
SCHEMBL20037203 0.64 SMN1; SMN2 (0.54) TDP1ALDH1A1MAPTKMT2AMEN1
SCHEMBL1818071 0.64 CYP1A2 (0.54) TDP1ALDH1A1MAPTKMT2AMEN1
SCHEMBL5270064 0.63 KDM4E (0.50) TDP1ALDH1A1MAPTKMT2AMEN1
SCHEMBL12859425 0.63 LMNA (0.44) TDP1ALDH1A1MAPTKMT2AMEN1
SCHEMBL12859487 0.63 MAPT (0.43) TDP1ALDH1A1MAPTKMT2AMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1749000-A2 BICYCLIC, SUBSTITUTED TRIAZOLES AS MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION METABOLEX, INC. (US) 2007-02-07 — — EP disclosed
US-20060014785-A1 BICYCLIC, SUBSTITUTED TRIAZOLES AS MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION METABOLEX, INC. (US) 2006-01-19 — — US disclosed
WO-2005115384-A2 BICYCLIC, SUBSTITUTED TRIAZOLES AS MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION METABOLEX, INC. (US) 2005-12-08 — — WO 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 (1 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-20060014785-A1 BICYCLIC, SUBSTITUTED TRIAZOLES AS MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION PPARG, PPARD, GPR119 TDP1 2180/4885ALDH1A1 2102/4885MAPT 2459/4885

“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.

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