SCHEMBL13265843

SCHEMBL13265843

Nc1ccccc1NC(=O)c1ccccc1Sc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.59
▸ LMNA P02545 4/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ MAPT P10636 5/20 0.52
▸ ALDH1A1 P00352 3/20 0.51
▸ HDAC1 Q13547 2/20 0.50
▸ PKM P14618 1/20 0.48
▸ CRHBP P24387 1/20 0.48
▸ CRHR2 Q13324 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ KMT2A Q03164 1/20 0.46
▸ L3MBTL1 Q9Y468 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
SCHEMBL13265777 0.86 MAPT (0.54) LMNASMN1; SMN2MAPTALDH1A1PKM
SCHEMBL17103189 0.84 RORC (0.49) RORCLMNASMN1; SMN2MAPTALDH1A1
SCHEMBL13265835 0.83 MAPT (0.56) LMNASMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL29397255 0.83 ALDH1A1 (0.65) RORCLMNASMN1; SMN2MAPTALDH1A1
SCHEMBL2954791 0.83 ALDH1A1 (0.65) RORCLMNASMN1; SMN2MAPTALDH1A1
SCHEMBL13265779 0.81 MAPT (0.52) LMNASMN1; SMN2MAPTALDH1A1PKM
SCHEMBL13265842 0.81 ALDH1A1 (0.58) RORCLMNASMN1; SMN2MAPTALDH1A1
SCHEMBL17103171 0.80 MAPT (0.47) RORCLMNASMN1; SMN2MAPTALDH1A1
SCHEMBL13265682 0.79 KDR (0.66) LMNASMN1; SMN2MAPTRAB9AKMT2A
SCHEMBL13265903 0.79 RORC (0.62) RORCLMNASMN1; SMN2MAPTALDH1A1

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 RORC 3548/4885LMNA 2874/4885SMN1; SMN2 4378/4885

“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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