SCHEMBL2960410

SCHEMBL2960410

Cc1cc(Sc2cccc(N)c2)cc([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 3/20 0.54
▸ TSHR P16473 5/20 0.51
▸ ALDH1A1 P00352 5/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ ACHE P22303 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.45
▸ MAPT P10636 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ HPGD P15428 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ GFER P55789 2/20 0.40
▸ CYP3A4 P08684 4/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ RECQL P46063 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ ALPG P10696 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37

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
SCHEMBL810534 0.81 SMN1; SMN2 (0.46) TSHRALDH1A1SMN1; SMN2ACHEHSP90AA1
SCHEMBL21378293 0.80 MAPT (0.69) PDE7AALDH1A1SMN1; SMN2HSP90AA1MAPT
SCHEMBL30543091 0.80 MAPT (0.69) PDE7AALDH1A1SMN1; SMN2HSP90AA1MAPT
SCHEMBL7183466 0.80 ALDH1A1 (0.46) PDE7ATSHRALDH1A1ACHEMAPT
SCHEMBL4801505 0.79 TSHR (0.70) PDE7ATSHRALDH1A1SMN1; SMN2ACHE
SCHEMBL2955716 0.77 SMN1; SMN2 (0.59) SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL7140685 0.75 MAPT (0.65) PDE7ATSHRALDH1A1SMN1; SMN2ACHE
SCHEMBL20591230 0.74 HSP90AA1 (0.61) PDE7ATSHRALDH1A1SMN1; SMN2ACHE
SCHEMBL2421879 0.74 SMN1; SMN2 (0.65) PDE7ATSHRALDH1A1SMN1; SMN2ACHE
SCHEMBL11356136 0.74 HSP90AA1 (0.77) PDE7ATSHRALDH1A1ACHEHSP90AA1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 — — US disclosed
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 — — US disclosed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 — — EP disclosed
US-7763731-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2010-07-27 — — US disclosed
CN-101384592-A Antiviral compounds ABBOTT LAB (US) 2009-03-11 — — CN disclosed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 — — EP disclosed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 — — US disclosed
WO-2007076035-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 — — WO 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 (2 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-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 PDE7A 4223/4885TSHR 4805/4885ALDH1A1 2723/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 PDE7A 4223/4885TSHR 4805/4885ALDH1A1 2723/4885

“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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