SCHEMBL16129644

SCHEMBL16129644

O=C(Nc1ccc(OC(F)(F)F)c([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.54
ALDH1A1 P00352 3/20 0.54
CYP3A4 P08684 1/20 0.54
TSHR P16473 1/20 0.54
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
MAPT P10636 7/20 0.51
POLB P06746 2/20 0.51
ABCB1 P08183 2/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
IGF2BP2 Q9Y6M1 1/20 0.48
LMNA P02545 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MAPK1 P28482 1/20 0.48
ATM Q13315 1/20 0.48
ALOX5 P09917 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL16099278 0.87 WNT3A (0.57) TDP1ALDH1A1CYP3A4TSHRKMT2A
SCHEMBL16129682 0.85 ALDH1A1 (0.74) TDP1ALDH1A1CYP3A4TSHRKMT2A
SCHEMBL16098500 0.81 IGF2BP2 (0.52) KMT2AMEN1MAPTPOLBCTDSP1
SCHEMBL16099264 0.81 LMNA (0.66) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL17101124 0.81 ALDH1A1 (0.50) TDP1ALDH1A1CYP3A4TSHRKMT2A
SCHEMBL16119754 0.81 WNT3A (0.57) TDP1CYP3A4KMT2AMEN1MAPT
SCHEMBL20855699 0.81 MEN1 (0.60) TDP1ALDH1A1CYP3A4TSHRKMT2A
SCHEMBL16097836 0.80 KCNQ3 (0.49) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL16098533 0.78 ALDH1A1 (0.86) TDP1ALDH1A1CYP3A4TSHRKMT2A
SCHEMBL16098055 0.78 WNT3A (0.58)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160052898-A1 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-02-25 US disclosed
US-20160052898-A1 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-02-25 US disclosed
US-20160052898-A1 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-02-25 US disclosed
WO-2014147182-A2 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-09-25 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-20160052898-A1 NOVEL COMPOUNDS AADAC, NAT1, CCNA1 TDP1 1992/4885ALDH1A1 325/4885CYP3A4 1384/4885

“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.