SCHEMBL13265774

SCHEMBL13265774

O=C(Nc1ccncc1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.63
▸ POLB P06746 4/20 0.63
▸ MEN1 O00255 3/20 0.63
▸ SMN1; SMN2 Q16637 5/20 0.60
▸ HTT P42858 3/20 0.60
▸ GAA P10253 1/20 0.60
▸ NCOA1 Q15788 1/20 0.60
▸ NCOA3 Q9Y6Q9 1/20 0.60
▸ TDP1 Q9NUW8 1/20 0.56
▸ MAPK1 P28482 2/20 0.55
▸ ALOX15 P16050 2/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ PPARG P37231 1/20 0.55
▸ PPARA Q07869 1/20 0.55
▸ ALDH1A1 P00352 4/20 0.55
▸ MAPT P10636 4/20 0.54
▸ MITF O75030 2/20 0.54
▸ NPC1 O15118 3/20 0.54
▸ RAB9A P51151 3/20 0.54
▸ LMNA P02545 2/20 0.53

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
SCHEMBL13265690 0.87 CYP11B2 (0.63) KMT2APOLBMEN1SMN1; SMN2TDP1
SCHEMBL13265835 0.86 MAPT (0.56) KMT2APOLBMEN1SMN1; SMN2HTT
SCHEMBL13240478 0.86 MAPT (0.63) KMT2APOLBMEN1SMN1; SMN2HTT
SCHEMBL13265771 0.83 MAPT (0.57) KMT2APOLBMEN1SMN1; SMN2HTT
SCHEMBL13265684 0.83 ALDH1A1 (0.61) KMT2APOLBMEN1SMN1; SMN2TDP1
SCHEMBL6937999 0.82 MEN1 (0.53) KMT2APOLBMEN1SMN1; SMN2HTT
SCHEMBL14537874 0.82 LMNA (0.64) KMT2AMEN1SMN1; SMN2GAATDP1
SCHEMBL13265855 0.81 MAPT (0.54) KMT2APOLBMEN1SMN1; SMN2HTT
SCHEMBL13265777 0.81 MAPT (0.54) KMT2APOLBMEN1SMN1; SMN2TDP1
SCHEMBL13265842 0.81 ALDH1A1 (0.58) KMT2APOLBMEN1SMN1; SMN2HTT

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 KMT2A 1930/4885POLB 26/4885MEN1 3658/4885

“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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