SCHEMBL2069878

SCHEMBL2069878

CCOC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.56
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
LMNA P02545 3/20 0.56
MAPT P10636 8/20 0.53
HTT P42858 5/20 0.53
MAPK1 P28482 1/20 0.53
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 1/20 0.50
TP53 P04637 1/20 0.49
PKM P14618 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
RORC P51449 1/20 0.46
KDM4E B2RXH2 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
SCHEMBL2071156 0.90 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL7576322 0.83 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL2070549 0.83 MAPT (0.70) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL4959353 0.83 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL4959345 0.83 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL2070357 0.82 KMT2A (0.55) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL11159531 0.82 MAPT (0.62) ALDH1A1KMT2ALMNAMAPTHTT
SCHEMBL6811979 0.81 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL30508352 0.81 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL11009493 0.81 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1LMNAMAPT

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-7906537-B2 Substituted p-diaminobenzene derivatives H. LUNDBECK A/S (DK) 2011-03-15 US disclosed
US-20060183791-A1 Substituted p-diaminobenzene derivatives H. LUNDBECK A/S (DK) 2006-08-17 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 (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-20060183791-A1 Substituted p-diaminobenzene derivatives ABCB1, UGT2B7, CYP2D6 ALDH1A1 112/4885KMT2A 3706/4885MEN1 1715/4885

“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.