SCHEMBL13265777

SCHEMBL13265777

CC(=O)c1ccccc1NC(=O)c1ccccc1Sc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.54
▸ LMNA P02545 4/20 0.54
▸ ALDH1A1 P00352 5/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ KMT2A Q03164 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ PKM P14618 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ CRHBP P24387 1/20 0.51
▸ CRHR2 Q13324 1/20 0.51
▸ ABCG2 Q9UNQ0 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL13240455 0.86 LMNA (0.62) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL13265843 0.86 RORC (0.59) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL2954791 0.85 ALDH1A1 (0.65) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL29397255 0.85 ALDH1A1 (0.65) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL13265772 0.84 ALDH1A1 (0.62) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL13265779 0.83 MAPT (0.52) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL13265835 0.81 MAPT (0.56) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL13265774 0.81 KMT2A (0.63) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL13240478 0.81 MAPT (0.63) MAPTLMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL7372951 0.81 KMT2A (0.69) MAPTLMNAALDH1A1SMN1; SMN2KMT2A

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 MAPT 2825/4885LMNA 2874/4885ALDH1A1 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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