SCHEMBL13265772

SCHEMBL13265772

CC(=O)c1cccc(NC(=O)c2ccccc2Sc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.62
▸ MEN1 O00255 4/20 0.60
▸ KMT2A Q03164 4/20 0.60
▸ MAPT P10636 6/20 0.55
▸ LMNA P02545 2/20 0.55
▸ RAC1 P63000 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ PAX8 Q06710 1/20 0.47

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
SCHEMBL13265842 0.86 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL17228263 0.85 MAPT (0.49) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL13265777 0.84 MAPT (0.54) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL13265855 0.82 MAPT (0.54) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL13240455 0.82 LMNA (0.62) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL13265774 0.80 KMT2A (0.63) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL13240478 0.80 MAPT (0.63) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL13265835 0.80 MAPT (0.56) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL13265684 0.79 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL13265771 0.79 MAPT (0.57) ALDH1A1MEN1KMT2AMAPTLMNA

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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