SCHEMBL19084536

SCHEMBL19084536

Cc1nn2c(=O)cc(-c3ccc([N+](=O)[O-])cc3)[nH]c2c1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSD A5PKW4 5/20 0.48
MAPT P10636 6/20 0.47
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CCR6 P51684 1/20 0.47
CYP19A1 P11511 1/20 0.44
ADORA2A P29274 1/20 0.42

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
SCHEMBL19084539 0.91 PSD (0.52) PSDMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL13516359 0.89 PSD (0.48) PSDMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL1614499 0.89 NPC1 (0.50) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL19084664 0.87 PSD (0.51) PSDMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL19084553 0.87 MAPT (0.54) PSDMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL1614504 0.87 ADORA2A (0.45) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL19084608 0.87 PSD (0.48) PSDMAPTRAB9ANPC1ALDH1A1
SCHEMBL13516556 0.85 ADORA2A (0.41) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL19084684 0.84 PSD (0.53) PSDMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL19084552 0.84 PSD (0.53) PSDMAPTRAB9ANPC1SMN1; SMN2

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-10849901-B2 Arf6 inhibitors and methods of synthesis and use thereof NAVIGEN, INC. (US) 2020-12-01 US disclosed
US-20170189405-A1 ARF6 INHIBITORS AND METHODS OF SYNTHESIS AND USE THEREOF NAVIGEN, INC. (US) 2017-07-06 US disclosed
US-20170189405-A1 ARF6 INHIBITORS AND METHODS OF SYNTHESIS AND USE THEREOF NAVIGEN, INC. (US) 2017-07-06 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 (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-20170189405-A1 ARF6 INHIBITORS AND METHODS OF SYNTHESIS AND USE THEREOF ARF6, ARF1, ARFIP2 PSD 211/4885MAPT 2995/4885RAB9A 111/4885
US-10849901-B2 Arf6 inhibitors and methods of synthesis and use thereof ARF6, ARF1, ARFIP2 PSD 211/4885MAPT 2995/4885RAB9A 111/4885

“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.