SCHEMBL398147

SCHEMBL398147

Cc1c[nH]c2cc([N+](=O)[O-])ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.56
PKLR P30613 1/20 0.56
ALDH1A1 P00352 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
TSHR P16473 2/20 0.52
DAO P14920 1/20 0.51
PTPRA P18433 1/20 0.50
CLK1 P49759 2/20 0.49
PARP1 P09874 1/20 0.49
CYP3A4 P08684 3/20 0.49
CYP2C19 P33261 1/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
NAMPT P43490 1/20 0.47
XDH P47989 1/20 0.47
CDK5 Q00535 1/20 0.46
CDK5R1 Q15078 1/20 0.46
GRIA1 P42261 1/20 0.46
GRIA2 P42262 1/20 0.46
GRIA3 P42263 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
SCHEMBL31326013 1.00 PKM (0.56) PKMPKLRALDH1A1TDP1TSHR
SCHEMBL2033426 0.89 DAO (0.55) PKMPKLRALDH1A1TDP1TSHR
SCHEMBL29929188 0.86 LMNA (0.55) PKMPKLRALDH1A1TDP1TSHR
SCHEMBL3298386 0.86 LMNA (0.55) PKMPKLRALDH1A1TDP1TSHR
SCHEMBL21657743 0.81 PKM (0.54) PKMPKLRALDH1A1TDP1TSHR
SCHEMBL7485097 0.80 PARP1 (0.54) PKMALDH1A1TDP1TSHRDAO
SCHEMBL31351698 0.80 PARP1 (0.51) PKMALDH1A1TDP1TSHRDAO
SCHEMBL10265469 0.80 PKM (0.69) PKMPKLRALDH1A1DAOPTPRA
SCHEMBL2447653 0.79 PKM (0.56) PKMPKLRTDP1DAOPTPRA
SCHEMBL20354853 0.79 PKM (0.56) PKMPKLRALDH1A1TDP1DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE50453-E1 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-10 US disclosed
US-20250002496-A1 INDOLE DERIVATIVES AS A MATRIX DESIGN FRAMEWORK FOR MALDI MASS SPECTROMETRY WITH BROAD APPLICATIONS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA 2025-01-02 US disclosed
US-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2024-03-21 US disclosed
CN-112805267-B Carboxamide and sulfonamide derivatives as TEAD modulators 豪夫迈·罗氏有限公司 2024-03-08 CN disclosed
CN-110536885-B Process for producing difluoromethylene compound 佐藤制药株式会社 2024-03-08 CN disclosed
US-11639347-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-05-02 US disclosed
US-11639347-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-05-02 US disclosed
US-11639347-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-05-02 US disclosed
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-27 US disclosed
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-27 US disclosed
WO-2007075946-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 WO disclosed
WO-2007075946-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 WO disclosed
WO-2007065094-A2 METHOD FOR THE PRODUCTION OF BLOCK COPOLYCARBONATE/PHOSPHONATES AND COMPOSITIONS THEREFROM FRX POLYMERS, LLC (US) 2007-06-07 WO disclosed
EP-1773816-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2007-04-18 EP disclosed
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED 2006-04-06 US disclosed
WO-2006002421-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-01-05 WO disclosed
EP-0902027-B1 Indole and indazole derivatives, process for their preparation and the pharmaceutical compositions containing them ADIR (FR) 2001-07-25 EP disclosed
US-6046205-A FOR TREATMENT OF VENOUS INSUFFICIENCY AND OF ASSOCIATED DISORDERS, AND ALSO IN THE TREATMENT OF MIGRAINE ADIR ET COMPAGNIE (FR) 2000-04-04 US disclosed
US-6020336-A Indole and indazole compounds LES LABORATOIRES SERVIER (FR) 2000-02-01 US disclosed
EP-0902027-A1 Indole and indazole derivatives, process for their preparation and the pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-03-17 EP 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 (5 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-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 PKM 3330/4885PKLR 3887/4885ALDH1A1 1961/4885
US-11639347-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 PKM 3330/4885PKLR 3887/4885ALDH1A1 1961/4885
US-20250002496-A1 INDOLE DERIVATIVES AS A MATRIX DESIGN FRAMEWORK FOR MALDI MASS SPECTROMETRY WITH BROAD APPLICATIONS IDO1, IDO2, AANAT PKM 1348/4885PKLR 2266/4885ALDH1A1 2733/4885
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 PKM 3330/4885PKLR 3887/4885ALDH1A1 1961/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 PKM 3024/4885PKLR 3662/4885ALDH1A1 2221/4885

“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.