SCHEMBL13265672

SCHEMBL13265672

COc1cc(F)ccc1NC(=O)c1cccc(Sc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.55
▸ KMT2A Q03164 8/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ MAPT P10636 6/20 0.49
▸ HTT P42858 3/20 0.49
▸ EPHX1 P07099 1/20 0.48
▸ KCNMA1 Q12791 1/20 0.48
▸ PKM P14618 2/20 0.47
▸ SETD7 Q8WTS6 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ TDP1 Q9NUW8 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
SCHEMBL13265671 0.90 MEN1 (0.65) MEN1KMT2AMAPTEPHX1PKM
SCHEMBL13265673 0.88 KCNMA1 (0.56) MEN1KMT2AL3MBTL1MAPTHTT
SCHEMBL13265728 0.87 SMN1; SMN2 (0.51) MEN1KMT2AMAPTHTTNPC1
SCHEMBL13265669 0.84 RAB9A (0.54) MEN1KMT2AL3MBTL1MAPTHTT
SCHEMBL13265909 0.84 HPGD (0.47) MEN1KMT2AMAPTHTTNPC1
SCHEMBL28589612 0.83 MEN1 (0.69) MEN1KMT2AL3MBTL1MAPTHTT
SCHEMBL13265768 0.82 PKM (0.63) MEN1KMT2AMAPTHTTKCNMA1
SCHEMBL13265725 0.82 SETD7 (0.60) MEN1KMT2AMAPTHTTSETD7
SCHEMBL13265713 0.79 KMT2A (0.47) MEN1KMT2AMAPTHTTNPC1
SCHEMBL13265668 0.79 MAPT (0.71) MEN1KMT2AMAPTHTTPKM

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 MEN1 3658/4885KMT2A 1930/4885L3MBTL1 1667/4885

“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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