SCHEMBL19084584

SCHEMBL19084584

Cc1nn2c(=O)cc(-c3ccc([N+](=O)[O-])cc3)[nH]c2c1-c1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSD A5PKW4 4/20 0.54
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
MAPT P10636 3/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
TNKS O95271 2/20 0.40
TNKS2 Q9H2K2 2/20 0.40
PARP1 P09874 1/20 0.40
IDO1 P14902 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CCR6 P51684 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
RAB9A P51151 2/20 0.38
HTT P42858 2/20 0.38
GUSB P08236 1/20 0.38
NLRP3 Q96P20 1/20 0.38
PARP2 Q9UGN5 1/20 0.38

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
SCHEMBL1614608 0.91 PSD (0.47) PSDADORA2AADORA1MAPTALDH1A1
SCHEMBL1614570 0.88 ADORA2A (0.40) PSDADORA2AADORA1MAPTALDH1A1
SCHEMBL1614156 0.86 KMT2A (0.39) PSDMAPTTNKSTNKS2PARP1
SCHEMBL19084684 0.85 PSD (0.53) PSDADORA2AADORA1MAPTCRHBP
SCHEMBL19084676 0.84 PSD (0.55) PSDADORA2AADORA1MAPTTNKS
SCHEMBL1613592 0.84 KDM4E (0.43) MAPTTNKSTNKS2PARP1ALDH1A1
SCHEMBL19084536 0.84 PSD (0.48) PSDADORA2AADORA1MAPTCRHBP
SCHEMBL17298696 0.84 MAPT (0.41) PSDADORA2AADORA1MAPTCRHBP
SCHEMBL13516359 0.80 PSD (0.48) PSDADORA2AADORA1MAPTALDH1A1
SCHEMBL19084608 0.80 PSD (0.48) PSDADORA2AADORA1MAPTALDH1A1

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 211/4885ADORA2A 4263/4885ADORA1 4220/4885
US-10849901-B2 Arf6 inhibitors and methods of synthesis and use thereof ARF6, ARF1, ARFIP2 PSD 211/4885ADORA2A 4263/4885ADORA1 4220/4885

“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.