SCHEMBL13265957

SCHEMBL13265957

COc1ccccc1NC(=O)c1ccccc1Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.73
▸ KMT2A Q03164 6/20 0.67
▸ MEN1 O00255 4/20 0.67
▸ RORC P51449 1/20 0.65
▸ KCNMA1 Q12791 2/20 0.60
▸ MAPT P10636 4/20 0.59
▸ ALDH1A1 P00352 3/20 0.59
▸ TDP1 Q9NUW8 2/20 0.59
▸ LMNA P02545 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ MAOB P27338 1/20 0.57
▸ PKM P14618 2/20 0.56
▸ CRHBP P24387 1/20 0.56
▸ CRHR2 Q13324 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.55
▸ METAP2 P50579 1/20 0.53
▸ GAA P10253 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ HSD17B10 Q99714 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
SCHEMBL13265800 0.89 MEN1 (0.64) RAB9AKMT2AMEN1RORCKCNMA1
SCHEMBL13265790 0.88 MAPT (0.56) RAB9AKMT2AMEN1RORCKCNMA1
SCHEMBL13265962 0.86 MEN1 (0.75) RAB9AKMT2AMEN1MAPTALDH1A1
SCHEMBL13265798 0.86 RORC (0.59) RAB9AKMT2AMEN1RORCKCNMA1
SCHEMBL13265979 0.83 KMT2A (0.67) RAB9AKMT2AMEN1RORCKCNMA1
SCHEMBL13265821 0.83 RORC (0.74) RAB9AKMT2AMEN1RORCKCNMA1
SCHEMBL13265845 0.83 SMN1; SMN2 (0.52) RAB9AKMT2AMEN1RORCMAPT
SCHEMBL13265802 0.83 RORC (0.65) RAB9AKMT2AMEN1RORCKCNMA1
SCHEMBL17103626 0.83 MEN1 (0.56) RAB9AKMT2AMEN1RORCKCNMA1
SCHEMBL13265958 0.83 RAB9A (0.80) RAB9AKMT2AMEN1MAPTALDH1A1

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 RAB9A 3107/4885KMT2A 1930/4885MEN1 3658/4885

“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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