SCHEMBL13837206

SCHEMBL13837206

OCC(O)c1nc2ccccc2nc1-c1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MBNL1 Q9NR56 1/20 0.44
▸ ADORA2A P29274 1/20 0.41
▸ SCN9A Q15858 1/20 0.39
▸ PIK3R1 P27986 2/20 0.38
▸ PIK3CA P42336 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ AHR P35869 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TACR3 P29371 2/20 0.37
▸ DHODH Q02127 4/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ TRPV3 Q8NET8 1/20 0.36
▸ MAPK8 P45983 1/20 0.35
▸ MAPK9 P45984 1/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ PIK3CD O00329 1/20 0.35

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
SCHEMBL13967978 0.82 SCN9A (0.56) ADORA2ASCN9ADHODHMAPK10MEN1
SCHEMBL13836819 0.81 KMT2A (0.49) SCN9ANPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL13837207 0.78 ADORA2A (0.45) ADORA2ASCN9APIK3R1PIK3CATACR3
SCHEMBL13837047 0.76 CFTR (0.46) NPC1ALDH1A1RAB9AMAPTAHR
SCHEMBL17363620 0.76 MBNL1 (0.61) MBNL1ADORA2APIK3R1PIK3CANPC1
SCHEMBL13836924 0.73 MEN1 (0.62) ADORA2APIK3R1PIK3CAALDH1A1RAB9A
SCHEMBL13967979 0.71 RAB9A (0.47) NPC1ALDH1A1RAB9AMAPTSMN1; SMN2
SCHEMBL3672070 0.70 ALDH1A1 (0.44) SCN9ANPC1ALDH1A1RAB9AMAPT
SCHEMBL5810725 0.70 ALDH1A1 (0.44) SCN9ANPC1ALDH1A1RAB9AMAPT
SCHEMBL27993150 0.68 MBNL1 (0.62) MBNL1ADORA2APIK3R1PIK3CANPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8952192-B2 Phosphorylated and branched dihydroxy-pentane-dione (DPD) analogs as quorum sensing inhibitors in bacteria UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2015-02-10 — — US disclosed
US-20120294900-A1 Phosphorylated and Branched Dihydroxy-Pentane-Dione (DPD) Analogs as Quorum Sensing Inhibitors in Bacteria UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2012-11-22 — — 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 (1 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-20120294900-A1 Phosphorylated and Branched Dihydroxy-Pentane-Dione (DPD) Analogs as Quorum Sensing Inhibitors in Bacteria PGD, DUSP2, PGLS MBNL1 1621/4885ADORA2A 383/4885SCN9A 4688/4885

“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.

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