SCHEMBL13265669

SCHEMBL13265669

COc1ccc(NC(=O)c2cccc(Sc3ccc([N+](=O)[O-])cc3)c2)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.54
▸ NPC1 O15118 6/20 0.54
▸ SMN1; SMN2 Q16637 5/20 0.54
▸ MAPT P10636 5/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ MEN1 O00255 5/20 0.50
▸ KMT2A Q03164 5/20 0.50
▸ HTT P42858 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ WDR5 P61964 1/20 0.50
▸ POLB P06746 1/20 0.49
▸ GAA P10253 1/20 0.47
▸ TP53 P04637 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 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
SCHEMBL13265728 0.87 SMN1; SMN2 (0.51) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL13265713 0.85 KMT2A (0.47) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL13265668 0.85 MAPT (0.71) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL13265672 0.84 MEN1 (0.55) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL13265671 0.82 MEN1 (0.65) RAB9ASMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL13265673 0.80 KCNMA1 (0.56) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL13265725 0.80 SETD7 (0.60) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL13265910 0.79 MAPT (0.58) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL3197561 0.76 MEN1 (0.53) RAB9ASMN1; SMN2MAPTALDH1A1MAPK1
SCHEMBL8866375 0.76 KMT2A (0.50) RAB9ANPC1SMN1; SMN2MAPTALDH1A1

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 3107/4885NPC1 1950/4885SMN1; SMN2 4378/4885

“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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