SCHEMBL4050751

SCHEMBL4050751

Cc1ccc(-c2ccc([N+](=O)[O-])cc2C(F)(F)F)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 4/20 0.46
AR P10275 6/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
PDE7A Q13946 1/20 0.42
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ACHE P22303 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CXCR5 P32302 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
SCHEMBL32679669 0.85 AKR1C3 (0.50) MAPTLMNAALDH1A1ARKMT2A
SCHEMBL13487162 0.82 ALDH1A1 (0.49) MAPTLMNAALDH1A1ARKMT2A
SCHEMBL4052825 0.81 AR (0.42) MAPTLMNAALDH1A1ARKMT2A
SCHEMBL4049355 0.79 MAPK1 (0.51) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL3207733 0.78 AR (0.53) MAPTALDH1A1ARKMT2AMEN1
SCHEMBL1019002 0.77 MAPT (0.51) MAPTLMNAALDH1A1KMT2AMEN1
Water SCHEMBL27993079 0.76 AR (0.52) MAPTALDH1A1ARKMT2AMEN1
SCHEMBL20298735 0.76 MAPT (0.48) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL30978368 0.76 TSHR (0.53) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL29226886 0.76 TSHR (0.53) MAPTLMNAALDH1A1KMT2AMEN1

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
WO-2009111501-A1 DERIVATIVES OF IMIDAZO [4, 5-D] PYRIDAZINE AND THEIR USE AS ANTI-VIRAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-09-11 WO disclosed
US-20090226398-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GENELABS TECHNOLOGIES, INC. 2009-09-10 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-20090226398-A1 ANTI-VIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE MAVS, SARS1, HAVCR2 MAPT 1163/4885LMNA 751/4885ALDH1A1 2203/4885

“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.