SCHEMBL13265802

SCHEMBL13265802

COc1ccccc1NC(=O)c1ccccc1Oc1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 2/20 0.65
▸ KCNMA1 Q12791 2/20 0.63
▸ ALDH1A1 P00352 5/20 0.60
▸ PKM P14618 2/20 0.60
▸ CRHBP P24387 1/20 0.60
▸ CRHR2 Q13324 1/20 0.60
▸ KMT2A Q03164 5/20 0.59
▸ MEN1 O00255 4/20 0.59
▸ MAOB P27338 1/20 0.57
▸ RAB9A P51151 2/20 0.56
▸ MAPT P10636 3/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ POLB P06746 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ LMNA P02545 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL13265821 0.87 RORC (0.74) RORCKCNMA1ALDH1A1PKMCRHBP
SCHEMBL13265724 0.87 RORC (0.65) RORCKCNMA1ALDH1A1PKMCRHBP
SCHEMBL13265792 0.85 MAPT (0.60) KCNMA1ALDH1A1PKMKMT2AMEN1
SCHEMBL13265794 0.84 MAPT (0.64) RORCALDH1A1PKMKMT2AMEN1
SCHEMBL13265957 0.83 RAB9A (0.73) RORCKCNMA1ALDH1A1PKMCRHBP
SCHEMBL6815623 0.81 KCNMA1 (0.77) RORCKCNMA1ALDH1A1PKMCRHBP
SCHEMBL29886399 0.81 KCNMA1 (0.77) RORCKCNMA1ALDH1A1PKMCRHBP
SCHEMBL26758015 0.81 RORC (0.78) RORCKCNMA1ALDH1A1PKMCRHBP
SCHEMBL22114132 0.80 HSPB1 (0.63) ALDH1A1KMT2AMEN1RAB9AMAPT
SCHEMBL13265800 0.80 MEN1 (0.64) RORCKCNMA1ALDH1A1PKMCRHBP

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 RORC 3548/4885KCNMA1 4468/4885ALDH1A1 4359/4885

“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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