SCHEMBL19084688

SCHEMBL19084688

O=c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]c2c(-c3ccccc3)c(C(F)(F)F)nn12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSD A5PKW4 6/20 0.51
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
CCR6 P51684 1/20 0.43
CYP19A1 P11511 1/20 0.43
ARF6 P62330 3/20 0.43
JAK2 O60674 1/20 0.41
TYK2 P29597 1/20 0.41
SCN2A Q99250 1/20 0.41
PLAT P00750 1/20 0.39

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
SCHEMBL19084678 0.91 PSD (0.52) PSDMEN1MAPTRAB9AKMT2A
SCHEMBL1278581 0.91 KCNQ3 (0.52) PSDMEN1LMNAMAPTRAB9A
SCHEMBL1286604 0.89 ARF6 (0.47) MEN1LMNAMAPTRAB9AKMT2A
SCHEMBL19084642 0.87 PSD (0.53) PSDARF6PLAT
SCHEMBL19084589 0.85 PSD (0.54) PSDMEN1MAPTKMT2AKCNQ3
SCHEMBL19084535 0.85 PSD (0.54) PSDARF6SCN2APLAT
SCHEMBL1278782 0.85 ARF6 (0.58) PSDKCNQ3KCNQ2ARF6PLAT
SCHEMBL19084536 0.83 PSD (0.48) PSDMEN1LMNACYP1A2CYP3A4
SCHEMBL16103044 0.82 MAPT (0.50) MEN1LMNAMAPTRAB9AKMT2A
SCHEMBL1279279 0.82 MAPT (0.50) MEN1LMNAMAPTRAB9AKMT2A

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 211/4885MEN1 2915/4885LMNA 4375/4885
US-10849901-B2 Arf6 inhibitors and methods of synthesis and use thereof ARF6, ARF1, ARFIP2 PSD 211/4885MEN1 2915/4885LMNA 4375/4885

“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.