SCHEMBL2960948

SCHEMBL2960948

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
TSHR P16473 3/20 0.58
CYP3A4 P08684 1/20 0.58
HPRT1 P00492 1/20 0.57
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
MAOB P27338 1/20 0.47
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HDAC7 Q8WUI4 1/20 0.45
FBP1 P09467 1/20 0.45
CYP19A1 P11511 1/20 0.45
MEN1 O00255 2/20 0.44
ACHE P22303 2/20 0.44
NPC1 O15118 1/20 0.44
ALPL P05186 1/20 0.44

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
SCHEMBL2960968 0.86 ALDH1A1 (0.61) ALDH1A1TDP1TSHRCYP3A4HPRT1
SCHEMBL1099961 0.84 ACHE (0.57) ALDH1A1TDP1TSHRCYP3A4HPRT1
SCHEMBL27930451 0.83 TSHR (0.55) ALDH1A1TDP1TSHRCYP3A4HPRT1
SCHEMBL13982707 0.83 TSHR (0.55) ALDH1A1TDP1TSHRCYP3A4HPRT1
SCHEMBL3538212 0.83 TSHR (0.55) ALDH1A1TDP1TSHRCYP3A4HPRT1
SCHEMBL15876274 0.82 TSHR (0.50) ALDH1A1TDP1TSHRCYP3A4HPRT1
SCHEMBL17742439 0.81 TDP1 (0.66) ALDH1A1TDP1CYP3A4HPRT1CRHBP
SCHEMBL1100207 0.81 ACHE (0.53) ALDH1A1TDP1TSHRCYP3A4HPRT1
SCHEMBL3539604 0.81 TSHR (0.49) ALDH1A1TDP1TSHRCYP3A4HPRT1
SCHEMBL15461976 0.81 ALDH1A1 (0.69) ALDH1A1TDP1TSHRCYP3A4HPRT1

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-113881954-B Method for synthesizing carbazole parent through Cadogan reaction 中钢集团南京新材料研究院有限公司 2023-05-19 CN disclosed
CN-113881954-A Method for synthesizing carbazole parent body through Cadogan reaction 中钢集团南京新材料研究院有限公司 2022-01-04 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
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
EP-1144381-A2 SUBSTITUTED BENZO[DE]ISOQUINOLINE-1,3-DIONES MERCK PATENT GmbH (DE) 2001-10-17 EP disclosed
EP-1133475-A1 SUBSTITUTED BENZO DE]ISOQUINOLINE-1,3-DIONES MERCK PATENT GmbH (DE) 2001-09-19 EP disclosed
WO-2000032577-A2 SUBSTITUTED BENZO[DE]ISOQUINOLINE-1,3-DIONES MERCK PATENT GMBH (DE) 2000-06-08 WO disclosed
WO-2000031039-A1 SUBSTITUTED BENZO[DE]ISOQUINOLINE-1,3-DIONES MERCK PATENT GMBH (DE) 2000-06-02 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 ALDH1A1 2723/4885TDP1 4336/4885TSHR 4805/4885
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.