SCHEMBL19084479

SCHEMBL19084479

O=c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]c2c(-c3ccc(Cl)cc3)c(-c3ccccc3)nn12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSD A5PKW4 9/20 0.48
ARF6 P62330 1/20 0.46
MAPT P10636 4/20 0.45
MEN1 O00255 2/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45
MCL1 Q07820 3/20 0.44
ALDH1A1 P00352 1/20 0.44
SLC27A2 O14975 1/20 0.44
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP19A1 P11511 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
SCHEMBL19084477 0.90 PSD (0.50) PSDARF6MAPTMEN1RAB9A
SCHEMBL13516218 0.84 ARF6 (0.65) PSDARF6SLC27A2
SCHEMBL13516359 0.84 PSD (0.48) PSDARF6MAPTMEN1RAB9A
SCHEMBL19084603 0.84 PSD (0.52) PSDARF6MAPTMEN1RAB9A
SCHEMBL1279407 0.82 MAT2A (0.49) PSDMAPTMEN1RAB9AKMT2A
SCHEMBL19084536 0.82 PSD (0.48) PSDMAPTMEN1RAB9AKMT2A
SCHEMBL19084678 0.82 PSD (0.52) PSDARF6MAPTMEN1RAB9A
SCHEMBL19084617 0.82 ARF6 (0.50) PSDARF6MAPTMEN1RAB9A
SCHEMBL19084619 0.81 ARF6 (0.52) PSDARF6MAPTMEN1RAB9A
SCHEMBL19084688 0.80 PSD (0.51) PSDARF6MAPTMEN1RAB9A

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 211/4885ARF6 1/4885MAPT 2995/4885
US-10849901-B2 Arf6 inhibitors and methods of synthesis and use thereof ARF6, ARF1, ARFIP2 PSD 211/4885ARF6 1/4885MAPT 2995/4885

“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.