SCHEMBL13265938

SCHEMBL13265938

O=C(Nc1ccc2cccnc2c1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BAZ1A Q9NRL2 2/20 0.56
▸ MAPT P10636 5/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ LMNA P02545 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.48
▸ KDR P35968 2/20 0.48
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ TRPV1 Q8NER1 1/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ HPGD P15428 1/20 0.44

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
SCHEMBL13265981 0.83 BAZ1A (0.59) BAZ1AMAPTSMN1; SMN2LMNAKDR
SCHEMBL13265965 0.82 BAZ1A (0.59) BAZ1AMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL13265901 0.80 BAZ1A (0.56) BAZ1AMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL13265855 0.80 MAPT (0.54) MAPTSMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL13265682 0.80 KDR (0.66) MAPTSMN1; SMN2LMNAKDRMEN1
SCHEMBL13265774 0.80 KMT2A (0.63) MAPTSMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL13265690 0.79 CYP11B2 (0.63) MAPTSMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL13265783 0.79 MAPT (0.49) MAPTSMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL13265685 0.79 MEN1 (0.63) MAPTSMN1; SMN2LMNAALDH1A1KDR
SCHEMBL14537874 0.79 LMNA (0.64) MAPTSMN1; SMN2LMNAALDH1A1MEN1

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 BAZ1A 601/4885MAPT 2825/4885SMN1; 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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