SCHEMBL2963618

SCHEMBL2963618

O=[N+]([O-])c1cc(C(F)(F)F)ccc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
TDP1 Q9NUW8 2/20 0.56
MASP2 O00187 1/20 0.52
F2 P00734 1/20 0.52
MAPT P10636 4/20 0.51
LMNA P02545 3/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HPGD P15428 3/20 0.49
CYP3A4 P08684 2/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
HIF1A Q16665 1/20 0.49
TXNRD1 Q16881 1/20 0.49
TXNRD3 Q86VQ6 1/20 0.49
TXNRD2 Q9NNW7 1/20 0.49
AKR1B1 P15121 2/20 0.48

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
SCHEMBL23198936 0.84 ALDH1A1 (0.56) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL2976577 0.83 CYP11B1 (0.48) ALDH1A1MASP2F2MAPTLMNA
SCHEMBL2965327 0.80 ALDH1A1 (0.65) ALDH1A1TDP1MASP2F2MAPT
SCHEMBL8981842 0.79 ALDH1A1 (0.59) ALDH1A1TDP1MASP2F2MAPT
SCHEMBL4136990 0.79 KIF11 (0.51) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL11414746 0.79 MASP2 (0.57) ALDH1A1TDP1MASP2F2MAPT
SCHEMBL8380657 0.78 TDP1 (0.61) ALDH1A1TDP1MAPTNPC1RAB9A
SCHEMBL9669410 0.78 ALDH1A1 (0.49) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL7464754 0.78 ALDH1A1 (0.49) ALDH1A1TDP1MAPTLMNAMEN1
SCHEMBL31511355 0.78 ALDH1A1 (0.50) ALDH1A1TDP1MASP2F2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116751137-B Method for preparing chloro aromatic compound by photo-induced nitroarene denitration chlorination 华中师范大学 2025-03-07 CN disclosed
CN-116751137-A Method for preparing chloro aromatic compound by photo-induced nitroarene denitration chlorination 华中师范大学 2023-09-15 CN disclosed
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
CN-101133016-B Method for producing substituted biphenyls BASF AG 2010-06-02 CN disclosed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
CN-101133016-A Method for producing substituted biphenyls BASF AG (DE) 2008-02-27 CN 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
CN-1163452-C Process for preparing nitrobiphenylene �����ɷ� 2004-08-25 CN disclosed
CN-1213359-A Process for preparing nitrobiphenylene BASF AG (DE) 1999-04-07 CN 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 ALDH1A1 2723/4885TDP1 4336/4885MASP2 2398/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 ALDH1A1 2723/4885TDP1 4336/4885MASP2 2398/4885

“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.