SCHEMBL12573204

SCHEMBL12573204

Nc1ccc(-n2cnc(-c3ccc([N+](=O)[O-])cc3)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 2/20 0.55
TLR1 Q15399 2/20 0.55
MAPT P10636 7/20 0.50
ALDH1A1 P00352 3/20 0.50
MAP4K4 O95819 1/20 0.47
LMNA P02545 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
PKM P14618 1/20 0.46
CYP2C19 P33261 1/20 0.46
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45

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
SCHEMBL12573203 0.86 TLR2 (0.55) TLR2TLR1MAPTALDH1A1MAP4K4
SCHEMBL12573212 0.86 TLR2 (0.55) TLR2TLR1MAPTALDH1A1MAP4K4
SCHEMBL1260380 0.83 TLR2 (0.65) TLR2TLR1MAPTALDH1A1LMNA
SCHEMBL1260911 0.80 TLR2 (0.51) TLR2TLR1MAPTALDH1A1MAP4K4
SCHEMBL19244581 0.78 MAP4K4 (0.52) MAPTALDH1A1MAP4K4LMNACYP3A4
SCHEMBL12573207 0.78 RAB9A (0.50) MAPTALDH1A1MAP4K4LMNARAB9A
SCHEMBL27699429 0.77 TLR2 (0.52) TLR2TLR1MAPTALDH1A1LMNA
SCHEMBL12573211 0.75 TLR2 (0.45) TLR2TLR1MAPTALDH1A1MAP4K4
SCHEMBL27959292 0.75 KEAP1 (0.54) TLR2TLR1MAPTALDH1A1NPSR1
SCHEMBL2743492 0.74 KIF11 (0.51) TLR2TLR1MAP4K4RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110158907-A1 DIPHENYL-HETEROARYL DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES THE TRUSTEES OF THE UNIVERISTY OF PENNSYLVANIA (US) 2011-06-30 US disclosed
US-20110158907-A1 DIPHENYL-HETEROARYL DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES THE TRUSTEES OF THE UNIVERISTY OF PENNSYLVANIA (US) 2011-06-30 US disclosed
WO-2008131148-A1 DIPHENYL-HETEROARYL DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2008-10-30 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-20110158907-A1 DIPHENYL-HETEROARYL DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES APP, APBA1, BACE2 TLR2 4673/4885TLR1 4871/4885MAPT 10/4885

“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.