SCHEMBL13265787

SCHEMBL13265787

COc1cc(F)ccc1CNC(=O)c1ccccc1Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.54
▸ MAPT P10636 2/20 0.53
▸ HPGD P15428 5/20 0.52
▸ GAA P10253 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ TAS1R3 Q7RTX0 1/20 0.50
▸ TAS1R1 Q7RTX1 1/20 0.50
▸ PLA2G1B P04054 1/20 0.50
▸ ATG4B Q9Y4P1 1/20 0.50
▸ PPARA Q07869 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ MAPK8 P45983 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ HSPB1 P04792 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ CRHBP P24387 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46

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
SCHEMBL13265799 0.90 ALDH1A1 (0.66) ALDH1A1MAPTHPGDGAAPKM
SCHEMBL13265976 0.85 ALDH1A1 (0.54) ALDH1A1MAPTHPGDGAATAS1R3
SCHEMBL13265949 0.84 HPGD (0.49) ALDH1A1MAPTHPGDPKMTAS1R3
SCHEMBL13265800 0.83 MEN1 (0.64) ALDH1A1MAPTGAAPKMHTT
SCHEMBL16840118 0.78 HPGD (0.56) ALDH1A1HPGDGAAPKMHTT
SCHEMBL13265909 0.76 HPGD (0.47) ALDH1A1MAPTHPGDGAAHTT
SCHEMBL13265820 0.76 PNLIP (0.58) ALDH1A1MAPTHPGDGAAHTT
SCHEMBL16840300 0.76 HPGD (0.69) ALDH1A1HPGDGAAPKMHTT
SCHEMBL27463741 0.76 HPGD (0.79) ALDH1A1HPGDGAAPKMHTT
SCHEMBL13265957 0.76 RAB9A (0.73) ALDH1A1MAPTGAAPKMTDP1

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-7754773-B2 Composition and synthesis of new reagents for inhibition of HIV replication UNIVERSITY OF MASSACHUSETTS (US) 2010-07-13 — — US disclosed
US-20070099919-A1 Composition and synthesis of new reagents for inhibition of HIV replication NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-05-03 — — 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-20070099919-A1 Composition and synthesis of new reagents for inhibition of HIV replication REV1, MAVS, ISG15 ALDH1A1 4359/4885MAPT 2825/4885HPGD 3668/4885

“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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