SCHEMBL13265835

SCHEMBL13265835

Nc1ccc(NC(=O)c2ccccc2Sc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.56
▸ SMN1; SMN2 Q16637 5/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ ALDH1A1 P00352 4/20 0.56
▸ LMNA P02545 4/20 0.56
▸ MEN1 O00255 6/20 0.54
▸ KMT2A Q03164 6/20 0.54
▸ HTT P42858 3/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.53
▸ MITF O75030 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ HPGD P15428 2/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ PDE7A Q13946 1/20 0.47
▸ ABCG2 Q9UNQ0 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 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
SCHEMBL13240478 0.88 MAPT (0.63) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL13265842 0.87 ALDH1A1 (0.58) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL13265774 0.86 KMT2A (0.63) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL13265684 0.85 ALDH1A1 (0.61) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL13265771 0.85 MAPT (0.57) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL17122774 0.84 MEN1 (0.51) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL13265855 0.84 MAPT (0.54) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL13265843 0.83 RORC (0.59) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL17103186 0.83 MEN1 (0.50) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL8855672 0.82 MAPT (0.68) MAPTSMN1; SMN2NPC1RAB9AALDH1A1

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 2825/4885SMN1; SMN2 4378/4885NPC1 1950/4885

“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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