SCHEMBL13265940

SCHEMBL13265940

Cc1cc(NC(=O)c2ccccc2Sc2ccc([N+](=O)[O-])cc2)on1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ GLA P06280 1/20 0.54
▸ MAPT P10636 4/20 0.48
▸ LMNA P02545 4/20 0.47
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ PKM P14618 2/20 0.44
▸ CRHBP P24387 1/20 0.44
▸ CRHR2 Q13324 1/20 0.44
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SLC6A2 P23975 2/20 0.42
▸ SLC6A4 P31645 2/20 0.42
▸ SLC6A3 Q01959 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL13265948 0.85 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2GLAMAPTKMT2A
SCHEMBL13265970 0.81 NPC1 (0.47) ALDH1A1SMN1; SMN2GLAMAPTLMNA
SCHEMBL13265960 0.80 SMN1; SMN2 (0.55) ALDH1A1SMN1; SMN2GLAMAPTLMNA
SCHEMBL13265896 0.79 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2GLAMAPTLMNA
SCHEMBL13265776 0.79 SORT1 (0.60) ALDH1A1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL13265779 0.76 MAPT (0.52) ALDH1A1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL13265774 0.76 KMT2A (0.63) ALDH1A1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL13265777 0.76 MAPT (0.54) ALDH1A1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL14537874 0.75 LMNA (0.64) ALDH1A1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL13265772 0.74 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MAPTLMNAMEN1

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 4359/4885SMN1; SMN2 4378/4885GLA 4106/4885

“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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