SCHEMBL19084611

SCHEMBL19084611

O=c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]c2c(-c3ccc(Cl)cc3)c(CN3CCOCC3)nn12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSD A5PKW4 6/20 0.56
ARF6 P62330 2/20 0.55
MAPT P10636 5/20 0.45
ALDH1A1 P00352 2/20 0.45
KCNJ1 P48048 2/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PRKDC P78527 1/20 0.41
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
AURKA O14965 1/20 0.40
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
AURKB Q96GD4 1/20 0.40
MCL1 Q07820 2/20 0.39
CTSB P07858 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 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
SCHEMBL19084592 0.86 PSD (0.55) PSDARF6MAPTALDH1A1MCL1
SCHEMBL19084617 0.84 ARF6 (0.50) PSDARF6MAPTALDH1A1MCL1
SCHEMBL19084546 0.81 PSD (0.53) PSDARF6MAPTALDH1A1PRKDC
SCHEMBL13516218 0.81 ARF6 (0.65) PSDARF6
SCHEMBL19084540 0.80 ARF6 (0.55) PSDARF6MAPTALDH1A1MCL1
SCHEMBL13516359 0.79 PSD (0.48) PSDARF6MAPTALDH1A1LMNA
SCHEMBL19084683 0.78 PSD (0.55) PSDARF6MAPTALDH1A1SMN1; SMN2
SCHEMBL19084619 0.78 ARF6 (0.52) PSDARF6MAPTALDH1A1MCL1
SCHEMBL19084585 0.77 PSD (0.55) PSDARF6MAPTALDH1A1MCL1
SCHEMBL19084678 0.76 PSD (0.52) PSDARF6MAPTALDH1A1MCL1

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.