SCHEMBL3047161

SCHEMBL3047161

Cc1cc(Sc2ccc([N+](=O)[O-])cc2)ccc1C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.51
MAPT P10636 6/20 0.51
MEN1 O00255 5/20 0.51
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
HPGD P15428 2/20 0.48
HTT P42858 2/20 0.48
MAPK1 P28482 2/20 0.48
LMNA P02545 3/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 5/20 0.46
TDP1 Q9NUW8 3/20 0.46
NPSR1 Q6W5P4 1/20 0.44
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL1094136 0.83 KMT2A (0.65) KMT2AMAPTMEN1TSHRSMN1; SMN2
SCHEMBL9962614 0.81 MAPT (0.46) KMT2AMAPTMEN1TSHRSMN1; SMN2
SCHEMBL3079331 0.80 TSHR (0.79) KMT2AMAPTMEN1TSHRSMN1; SMN2
SCHEMBL11472633 0.80 ALDH1A1 (0.63) KMT2AMAPTMEN1TSHRSMN1; SMN2
SCHEMBL16904073 0.76 MAPT (0.53) KMT2AMAPTMEN1TSHRSMN1; SMN2
SCHEMBL13265968 0.75 TSHR (0.62) KMT2AMAPTMEN1TSHRSMN1; SMN2
SCHEMBL4121424 0.75 ALDH1A1 (0.46) KMT2AMAPTMEN1SMN1; SMN2HPGD
SCHEMBL8055560 0.74 KMT2A (0.47) KMT2AMAPTMEN1SMN1; SMN2MAPK1
SCHEMBL4163474 0.74 MAPT (0.79) KMT2AMAPTMEN1SMN1; SMN2HPGD
SCHEMBL3328543 0.74 MAPT (0.79) KMT2AMAPTMEN1SMN1; SMN2HPGD

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
CN-102702194-A Anti-viral compounds ABBOTT LAB 2012-10-03 CN 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
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 KMT2A 3566/4885MAPT 1347/4885MEN1 4571/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 KMT2A 3566/4885MAPT 1347/4885MEN1 4571/4885

“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.