SCHEMBL13265800

SCHEMBL13265800

COc1cc(F)ccc1NC(=O)c1ccccc1Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.64
▸ KMT2A Q03164 5/20 0.64
▸ KCNMA1 Q12791 3/20 0.62
▸ RAB9A P51151 2/20 0.58
▸ KDM4E B2RXH2 1/20 0.57
▸ ALDH1A1 P00352 3/20 0.56
▸ MAPT P10636 3/20 0.56
▸ PKM P14618 3/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ RORC P51449 1/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ CRHBP P24387 1/20 0.51
▸ CRHR2 Q13324 1/20 0.51
▸ GAA P10253 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ NPC1 O15118 1/20 0.50

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
SCHEMBL13265957 0.89 RAB9A (0.73) MEN1KMT2AKCNMA1RAB9AKDM4E
SCHEMBL13265786 0.85 KMT2A (0.69) MEN1KMT2ARAB9AKDM4EALDH1A1
SCHEMBL13265913 0.84 KCNMA1 (0.61) MEN1KMT2AKCNMA1KDM4EALDH1A1
SCHEMBL13265768 0.83 PKM (0.63) MEN1KMT2AKCNMA1KDM4EALDH1A1
SCHEMBL13265787 0.83 ALDH1A1 (0.54) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL13265820 0.82 PNLIP (0.58) MEN1KMT2AKCNMA1RAB9AKDM4E
SCHEMBL6815623 0.80 KCNMA1 (0.77) MEN1KMT2AKCNMA1RAB9AKDM4E
SCHEMBL13265790 0.80 MAPT (0.56) MEN1KMT2AKCNMA1RAB9AALDH1A1
SCHEMBL29886399 0.80 KCNMA1 (0.77) MEN1KMT2AKCNMA1RAB9AKDM4E
SCHEMBL13265962 0.80 MEN1 (0.75) MEN1KMT2ARAB9AALDH1A1MAPT

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 1930/4885KCNMA1 4468/4885

“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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