SCHEMBL4293579

SCHEMBL4293579

Cc1cccc(=O)n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.57
NOTUM Q6P988 2/20 0.56
BRD9 Q9H8M2 1/20 0.49
GSR P00390 1/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
AR P10275 1/20 0.48
HTT P42858 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALKBH5 Q6P6C2 1/20 0.46
ELANE P08246 1/20 0.45
ALDH1A1 P00352 1/20 0.44
PLA2G10 O15496 1/20 0.44
ALOX5 P09917 1/20 0.43

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
SCHEMBL6315486 0.84 NOTUM (0.59) CYP1A2NOTUMBRD9GSRPOLB
SCHEMBL17459260 0.81 CYP1A2 (0.50) CYP1A2NOTUMBRD9GAAAR
SCHEMBL17459259 0.80 CYP1A2 (0.53) CYP1A2NOTUMBRD9GAAAR
SCHEMBL17537376 0.79 CYP1A2 (0.58) CYP1A2NOTUMBRD9GAAAR
SCHEMBL15766972 0.79 NOTUM (0.54) CYP1A2NOTUMBRD9GSRPOLB
SCHEMBL4286769 0.79 CYP1A2 (0.52) CYP1A2NOTUMBRD9GSRPOLB
SCHEMBL17931794 0.77 CYP1A2 (0.57) CYP1A2NOTUMBRD9GSRPOLB
SCHEMBL17819292 0.77 CYP1A2 (0.60) CYP1A2NOTUMBRD9GSRPOLB
SCHEMBL561046 0.76 NOTUM (0.68) CYP1A2NOTUMBRD9GSRPOLB
SCHEMBL15837540 0.76 BRD9 (0.54) CYP1A2NOTUMBRD9POLBGAA

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-20120269872-A1 NOVEL SALT 628 ASTRAZENECA AB (SE) 2012-10-25 US disclosed
US-20090105239-A1 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE ASTRAZENECA AB (SE) 2009-04-23 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-20120269872-A1 NOVEL SALT 628 REN, SCN8A, SLC38A7 CYP1A2 2967/4885NOTUM 1286/4885BRD9 179/4885
US-20090105239-A1 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE SERPINB1, ELANE, MPO CYP1A2 654/4885NOTUM 2654/4885BRD9 3242/4885

“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.