SCHEMBL4349802

SCHEMBL4349802

Oc1c(NCc2ccco2)ccc(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.45
POLB P06746 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 4/20 0.43
HPGD P15428 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 2/20 0.43
KDM6B O15054 1/20 0.43
KDM4A O75164 1/20 0.43
KDM5C P41229 1/20 0.43
KDM4D Q6B0I6 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
CRHBP P24387 2/20 0.42
CRHR2 Q13324 2/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KCNH3 Q9ULD8 3/20 0.42
LMNA P02545 3/20 0.41
GAA P10253 1/20 0.41
MIF P14174 1/20 0.40

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
SCHEMBL4356051 0.75 ALDH1A1 (0.49) EPHX2POLBALDH1A1MAPTHPGD
SCHEMBL10408359 0.74 KMT2A (0.56) EPHX2ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL4343424 0.73 ALDH1A1 (0.51) POLBALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL4345522 0.72 HPGD (0.50) POLBALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL4354569 0.69 RXFP1 (0.46) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL4351154 0.69 MEN1 (0.32) ALDH1A1MAPTMEN1KMT2A
SCHEMBL1520478 0.68 ALDH1A1 (0.73) POLBALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL5047643 0.68 ALDH1A1 (0.50) POLBALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL4342262 0.68 HPGD (0.47) ALDH1A1MAPTHPGDKDM4EMEN1
SCHEMBL4353145 0.68 KDM4E (0.43) EPHX2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF JERINI AG (DE) 2011-03-17 US claimed
EP-2100876-A2 New compounds for the inhibition of rotamases and use thereof Jerini AG (DE) 2009-09-16 EP claimed
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors JERINI AG (DE) 2007-03-08 US claimed
CN-1701061-A Novel compounds for inhibiting rotamase enzymes and uses thereof JERINI AG (DE) 2005-11-23 CN claimed
EP-1539683-A2 PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS Jerini AG (DE) 2005-06-15 EP claimed
WO-2004030664-A2 NEW COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF JERINI AG (DE) 2004-04-15 WO claimed
WO-2004026815-A2 PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS JERINI AG (DE) 2004-04-01 WO claimed
EP-2100876-A2 New compounds for the inhibition of rotamases and use thereof Jerini AG (DE) 2009-09-16 EP 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-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF NR1I3, NR1D1, NR1D2 EPHX2 769/4885POLB 3571/4885ALDH1A1 2565/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 EPHX2 627/4885POLB 2402/4885ALDH1A1 2767/4885

“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.