SCHEMBL1506607

SCHEMBL1506607

Cc1cc(C(F)(F)F)ncc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
MAPT P10636 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TSHR P16473 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP3A4 P08684 2/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HIF1A Q16665 1/20 0.40
TXNRD1 Q16881 1/20 0.40
TXNRD3 Q86VQ6 1/20 0.40
TXNRD2 Q9NNW7 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL29722045 1.00 ALDH1A1 (0.46) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL29282662 0.87 ALDH1A1 (0.38) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL17504828 0.86 ALDH1A1 (0.40) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL30515386 0.81 ALDH1A1 (0.49) ALDH1A1MAPTCYP1A2CYP2C19TSHR
SCHEMBL3061406 0.81 ALDH1A1 (0.49) ALDH1A1MAPTCYP1A2CYP2C19TSHR
SCHEMBL29838652 0.80 AAK1 (0.48) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL3060388 0.79 GPR35 (0.41) ALDH1A1MAPTCYP1A2CYP2C9TSHR
SCHEMBL3059793 0.79 ALDH1A1 (0.47) ALDH1A1MAPTTSHRTDP1CYP3A4
SCHEMBL19433305 0.78 ALDH1A1 (0.42) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL2340152 0.77 ALDH1A1 (0.49) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12404279-B2 Deubiquitinase inhibitors and methods of use thereof MOLECURE S.A. (PL) 2025-09-02 US disclosed
US-20250171420-A1 MOLECULAR GLUE DEGRADERS AND METHODS OF USING THE SAME MONTE ROSA THERAPEUTICS AG (CH) 2025-05-29 US disclosed
US-12258354-B2 AhR modulators IDEAYA BIOSCIENCES, INC. (US) 2025-03-25 US disclosed
EP-4452984-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF Molecure S.A. (PL) 2024-10-30 EP disclosed
EP-3749669-B3 AHR MODULATORS IDEAYA BIOSCIENCES INC (US) 2024-09-04 EP disclosed
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-11 US disclosed
CN-118027034-A Purine derivatives and their use in medicine 成都百裕制药股份有限公司 2024-05-14 CN disclosed
CN-111683950-B AhR modulators 伊迪亚生物科学有限公司 2024-04-16 CN disclosed
CN-117396485-A PARP7 inhibitors 轩竹生物科技股份有限公司 2024-01-12 CN disclosed
EP-4219495-A1 AHR MODULATORS Ideaya Biosciences, Inc. (US) 2023-08-02 EP disclosed
US-8546385-B2 Benzoic pyrrolopyridine derivatives LABORATOIRES FOURNIER SA (FR) 2013-10-01 US disclosed
US-8546385-B2 Benzoic pyrrolopyridine derivatives LABORATOIRES FOURNIER SA (FR) 2013-10-01 US disclosed
US-20120302560-A1 Novel Benzoic Pyrrolopyridine Derivatives LABORATOIRES FOURNIER SA (FR) 2012-11-29 US disclosed
US-20120302560-A1 Novel Benzoic Pyrrolopyridine Derivatives LABORATOIRES FOURNIER SA (FR) 2012-11-29 US disclosed
EP-2521727-A1 NOVEL BENZOIC PYRROLOPYRIDINE DERIVATIVES Laboratoires Fournier S.A. (FR) 2012-11-14 EP disclosed
WO-2011083278-A1 NOVEL BENZOIC PYRROLOPYRIDINE DERIVATIVES LABORATOIRES FOURNIER SA (FR) 2011-07-14 WO disclosed
US-7910592-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2011-03-22 US disclosed
US-20090042892-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-02-12 US disclosed
EP-1971595-A2 CETP INHIBITORS Merck & Co., Inc. (US) 2008-09-24 EP disclosed
WO-2007081569-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-07-19 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 (6 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-20090042892-A1 Cetp Inhibitors CETP, APOB, MTTP ALDH1A1 3603/4885MAPT 2376/4885CYP1A2 886/4885
US-20120302560-A1 Novel Benzoic Pyrrolopyridine Derivatives NCOR1, NCOR2, NR0B1 ALDH1A1 1066/4885MAPT 3895/4885CYP1A2 998/4885
US-12258354-B2 AhR modulators AHR, ARNT, RORB ALDH1A1 579/4885MAPT 4102/4885CYP1A2 39/4885
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME SLC10A1, NR1H4, SLC10A2 ALDH1A1 3140/4885MAPT 32/4885CYP1A2 398/4885
US-12404279-B2 Deubiquitinase inhibitors and methods of use thereof USP7, USP28, USP1 ALDH1A1 2210/4885MAPT 1555/4885CYP1A2 3846/4885
US-20250171420-A1 MOLECULAR GLUE DEGRADERS AND METHODS OF USING THE SAME PSMA1, CSNK1G1, CSNK1A1 ALDH1A1 1388/4885MAPT 614/4885CYP1A2 4649/4885

“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.