SCHEMBL241906

SCHEMBL241906

Cc1c(Br)ccc([N+](=O)[O-])c1N

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
CYP3A4 P08684 4/20 0.47
CTSB P07858 1/20 0.46
TDP1 Q9NUW8 3/20 0.45
CYP2D6 P10635 1/20 0.44
TSHR P16473 5/20 0.43
CYP1A2 P05177 1/20 0.43
RECQL P46063 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL27683829 0.82 TDP1 (0.56) ALDH1A1CYP3A4TDP1CYP2D6TSHR
SCHEMBL29727839 0.82 TDP1 (0.56) ALDH1A1CYP3A4TDP1CYP2D6TSHR
SCHEMBL2656793 0.80 TSHR (0.55) ALDH1A1CYP3A4TDP1TSHRCYP1A2
SCHEMBL9575258 0.80 CYP1A2 (0.50) ALDH1A1CYP3A4TDP1CYP2D6TSHR
SCHEMBL2056814 0.80 TSHR (0.60) ALDH1A1CYP3A4TDP1TSHRRECQL
SCHEMBL1072302 0.78 TSHR (0.50) ALDH1A1CYP3A4TDP1CYP2D6TSHR
SCHEMBL22032838 0.78 TDP1 (0.47) ALDH1A1CYP3A4TDP1CYP2D6TSHR
SCHEMBL29399544 0.78 TDP1 (0.47) ALDH1A1CYP3A4TDP1CYP2D6TSHR
SCHEMBL2100657 0.77 TSHR (0.55) ALDH1A1CYP3A4CTSBTDP1TSHR
SCHEMBL31569017 0.77 TDP1 (0.52) ALDH1A1CYP3A4TDP1TSHRRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174648-A1 Small Molecule Compound TECHNODERMA MEDICINES INC. (CN) 2024-05-30 US disclosed
EP-3906233-B1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL MED MOUNT SINAI (US) 2024-01-31 EP disclosed
US-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 US disclosed
US-20220402948-A1 EGFR INHIBITOR, COMPOSITION AND PREPARATION METHOD THEREFOR BETTA PHARMACEUTICALS CO., LTD. (CN) 2022-12-22 US disclosed
EP-4050009-A1 SMALL MOLECULE COMPOUND Technoderma Medicines Pte Ltd (CN) 2022-08-31 EP disclosed
US-20220162182-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-05-26 US disclosed
US-20220162182-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-05-26 US disclosed
EP-3906233-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE Icahn School of Medicine at Mount Sinai (US) 2021-11-10 EP disclosed
EP-3906028-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE Icahn School of Medicine at Mount Sinai (US) 2021-11-10 EP disclosed
CN-113543783-A Kinase inhibitor compounds and compositions and methods of use 西奈山伊坎医学院 2021-10-22 CN disclosed
EP-2651885-A1 ANTI-VIRAL COMPOUNDS Abbvie Inc. (US) 2013-10-23 EP disclosed
EP-2627651-A1 ANTI-VIRAL COMPOUNDS Abbvie Inc. (US) 2013-08-21 EP disclosed
US-20120220562-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-08-30 US disclosed
WO-2012116257-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2012-08-30 WO disclosed
US-20120172290-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-07-05 US disclosed
WO-2012083170-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-06-21 WO disclosed
WO-2012051361-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-04-19 WO disclosed
US-20120004196-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-01-05 US disclosed
US-20110207699-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-08-25 US disclosed
US-20110092415-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-04-21 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 (9 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-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885CYP3A4 1792/4885CTSB 195/4885
US-20220162182-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE MAP3K20, MAP3K1, PACSIN2 ALDH1A1 4726/4885CYP3A4 4468/4885CTSB 1456/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885CYP3A4 1792/4885CTSB 195/4885
US-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885CYP3A4 1792/4885CTSB 195/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885CYP3A4 1792/4885CTSB 195/4885
US-20240174648-A1 Small Molecule Compound JAK1, JAK2, TYK2 ALDH1A1 4027/4885CYP3A4 3342/4885CTSB 3791/4885
US-20220402948-A1 EGFR INHIBITOR, COMPOSITION AND PREPARATION METHOD THEREFOR EGFR, ERBB2, ERBB3 ALDH1A1 3309/4885CYP3A4 1377/4885CTSB 503/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885CYP3A4 1792/4885CTSB 195/4885
US-20120172290-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885CYP3A4 1792/4885CTSB 195/4885

“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.