SCHEMBL2960968

SCHEMBL2960968

Cc1ccc(-c2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
TDP1 Q9NUW8 1/20 0.61
TSHR P16473 2/20 0.58
CYP3A4 P08684 1/20 0.58
HPRT1 P00492 1/20 0.57
MAPT P10636 4/20 0.49
LMNA P02545 3/20 0.49
HPGD P15428 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PKM P14618 1/20 0.49
ALOX15 P16050 1/20 0.49
ALOX12 P18054 1/20 0.49
NTSR1 P30989 1/20 0.49
CACNA1B Q00975 1/20 0.49
APBA1 Q02410 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL29864864 0.89 TSHR (0.62) ALDH1A1TDP1TSHRCYP3A4HPRT1
SCHEMBL4259701 0.89 TSHR (0.62) ALDH1A1TDP1TSHRCYP3A4HPRT1
SCHEMBL2960948 0.86 ALDH1A1 (0.61) ALDH1A1TDP1TSHRCYP3A4HPRT1
SCHEMBL11189916 0.85 TSHR (0.72) ALDH1A1TDP1TSHRCYP3A4MAPT
SCHEMBL27930471 0.83 TSHR (0.59) ALDH1A1TDP1TSHRCYP3A4HPRT1
SCHEMBL3538142 0.83 TSHR (0.55) ALDH1A1TDP1TSHRCYP3A4HPRT1
SCHEMBL4464974 0.83 TSHR (0.55) ALDH1A1TDP1TSHRCYP3A4MAPT
SCHEMBL12722617 0.83 TSHR (0.55) TSHRCYP3A4HPRT1MAPTLMNA
SCHEMBL3276362 0.81 TDP1 (0.66) ALDH1A1TDP1HPRT1MAPTLMNA
SCHEMBL30352851 0.81 TDP1 (0.66) ALDH1A1TDP1HPRT1MAPTLMNA

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021133689-A2 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2021-07-01 WO disclosed
CN-105061296-A Preparation method for 2-substituted carbazole compounds ZHANGJIAGANG IND TECHNOLOGY RES INST JIANGSU UNIVERSITY OF SCIENCE AND TECHNOLOGY 2015-11-18 CN disclosed
US-20130200357-A1 FORMULATIONS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2013-08-08 US disclosed
US-8343637-B2 Carbazole derivatives for organic electroluminescent devices MERCK PATENT GMBH (DE) 2013-01-01 US 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
CN-102267848-A Method for synthesizing biphenol compound by catalyzing Suzuki coupling reaction with nanometer palladium catalyst 2011-12-07 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-1028755-C Azole derivate, manufacturing method and application thereof HOECHST AG (DE) 1995-06-07 CN disclosed
US-5310737-A Benzo-fused lactams that promote the release of growth hormone MERCK & CO., INC. (US) 1994-05-10 US disclosed
US-5206235-A Animal growth regulators; stimulants MERCK & CO., INC. (US) 1993-04-27 US disclosed
CN-1066844-A Pyrrole derivative, their preparation method and application HOECHST AG (DE) 1992-12-09 CN disclosed
EP-0513974-A1 Novel benzo-fused lactams that promote the release of growth hormone MERCK & CO. INC. (US) 1992-11-19 EP disclosed
CN-1066070-A Promote the new benzo-fused lactams that tethelin discharges MERCK & CO INC (US) 1992-11-11 CN disclosed
WO-1992016524-A1 BENZO-FUSED LACTAMS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1992-10-01 WO disclosed
US-4422979-A Fluoro-substituted biphenylyl compounds and processes ETHYL CORPORATION (US) 1983-12-27 US disclosed
US-4371473-A Preparation of 2-(2-fluoro-4-biphenylyl)propionic acid and corresponding nitride ETHYL CORPORATION (US) 1983-02-01 US disclosed
US-4278516-A Method for the preparation of 2-fluoro-4-monobromomethylbiphenyl ETHYL CORPORATION (US) 1981-07-14 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-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 ALDH1A1 2723/4885TDP1 4336/4885TSHR 4805/4885

“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.