SCHEMBL13265684

SCHEMBL13265684

COc1ccc(NC(=O)c2ccccc2Sc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.61
▸ MEN1 O00255 5/20 0.61
▸ KMT2A Q03164 5/20 0.61
▸ POLB P06746 2/20 0.60
▸ KDM4E B2RXH2 1/20 0.60
▸ RXFP1 Q9HBX9 1/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ MAPT P10636 6/20 0.58
▸ NPC1 O15118 5/20 0.58
▸ PKM P14618 2/20 0.58
▸ HSP90AA1 P07900 1/20 0.58
▸ PAX8 Q06710 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ LMNA P02545 2/20 0.56
▸ AURKA O14965 1/20 0.54
▸ ALOX5 P09917 1/20 0.54
▸ RAB9A P51151 3/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ METAP2 P50579 1/20 0.53

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
SCHEMBL13265835 0.85 MAPT (0.56) ALDH1A1MEN1KMT2APOLBRXFP1
SCHEMBL13240478 0.85 MAPT (0.63) ALDH1A1MEN1KMT2APOLBRXFP1
SCHEMBL13265771 0.84 MAPT (0.57) ALDH1A1MEN1KMT2APOLBRXFP1
SCHEMBL13265687 0.84 MAPT (0.80) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL13265766 0.83 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ARXFP1TDP1
SCHEMBL13265774 0.83 KMT2A (0.63) ALDH1A1MEN1KMT2APOLBRXFP1
SCHEMBL2954791 0.82 ALDH1A1 (0.65) ALDH1A1MEN1KMT2ATDP1MAPT
SCHEMBL29397255 0.82 ALDH1A1 (0.65) ALDH1A1MEN1KMT2ATDP1MAPT
SCHEMBL13265855 0.81 MAPT (0.54) ALDH1A1MEN1KMT2APOLBRXFP1
SCHEMBL13265967 0.81 MEN1 (0.62) ALDH1A1MEN1KMT2APOLBMAPT

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 ALDH1A1 4359/4885MEN1 3658/4885KMT2A 1930/4885

“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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