Sugi Predict

Sugi Predict / Compounds / SCHEMBL203703

SCHEMBL203703

SCHEMBL203703

Nc1c([N+](=O)[O-])cc(Cl)cc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.51
▸ CYP3A4 P08684 3/20 0.47
▸ TSHR P16473 3/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ TXNRD1 Q16881 1/20 0.47
▸ TXNRD3 Q86VQ6 1/20 0.47
▸ TXNRD2 Q9NNW7 1/20 0.47
▸ EPAS1 Q99814 2/20 0.38
▸ PDE7A Q13946 3/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ PDE7B Q9NP56 1/20 0.38
▸ VEGFA P15692 1/20 0.37
▸ KIF11 P52732 1/20 0.37
▸ VCAM1 P19320 1/20 0.37
▸ CCR2 P41597 1/20 0.36
▸ MEN1 O00255 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
SCHEMBL29751617 0.82 TSHR (0.59) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL12583947 0.82 ALDH1A1 (0.54) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL7745645 0.82 TSHR (0.59) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL9788476 0.81 ALDH1A1 (0.57) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL2912091 0.81 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRTDP1ALOX15
SCHEMBL1562229 0.81 ALDH1A1 (0.49) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL11305698 0.81 TSHR (0.49) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL8902847 0.81 ALDH1A1 (0.53) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL4914101 0.81 ALDH1A1 (0.58) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL9173191 0.81 ALDH1A1 (0.72) ALDH1A1CYP3A4TSHRTDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119100934-A Preparation method of 2-amino-3-bromobenzotrifluoride 帕潘纳(北京)科技有限公司 2024-12-10 — — CN disclosed
US-11618744-B2 Benzoimidazoles as prolyl hydroxylase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2023-04-04 — — US disclosed
US-20210078978-A1 BENZOIMIDAZOLES AS PROLYL HYDROXYLASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-03-18 — — US disclosed
US-10851083-B2 Benzoimidazoles as prolyl hydroxylase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2020-12-01 — — US disclosed
EP-3428148-B1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2020-07-08 — — EP disclosed
EP-3498696-A1 ENANTIOMERICALLY ENRICHED ARYLOAZOL-2-YL CYANOETHYLAMINO PARASITICIDAL COMPOUNDS Merial, Inc. (US) 2019-06-19 — — EP disclosed
EP-3428148-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF Merial, Inc. (US) 2019-01-16 — — EP disclosed
EP-3050874-B1 ENANTIOMERIALLY ENRICHED ARYLOAZOL-2-YL CYANOETHYLAMINO PARACITICIDAL COMPOUNDS MERIAL INC (US) 2019-01-09 — — EP disclosed
EP-3088384-B1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF MERIAL INC (US) 2018-12-12 — — EP disclosed
US-20180215732-A9 BENZOIMIDAZOLES AS PROLYL HYDROXYLASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2018-08-02 — — US disclosed
US-5482956-A ANTIPROTOZOA AGENTS FOR ANIMALS OR INSECTS BAYER AKTIENGESELLSCHAFT (DE) 1996-01-09 — — US disclosed
EP-0667862-A1 2-FLUOROALKYL-SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AG (DE) 1995-08-23 — — EP disclosed
EP-0667863-A1 2-PERHALOGENALKYL-SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AG (DE) 1995-08-23 — — EP disclosed
EP-0667861-A1 2-FLUOROALKYL-SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AG (DE) 1995-08-23 — — EP disclosed
WO-1994011352-A1 2-CYANO-SUBSTITUTED BENZIMIDAZOLES, THEIR PRODUCTION AND THEIR USE AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1994-05-26 — — WO disclosed
WO-1994011351-A1 2-PERHALOGENALKYL-SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1994-05-26 — — WO disclosed
WO-1994011350-A1 2-FLUOROALKYL-SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1994-05-26 — — WO disclosed
WO-1994011349-A1 2-FLUOROALKYL-SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1994-05-26 — — WO disclosed
EP-0597304-A1 Use of substituted benzimidazoles BAYER AG (DE) 1994-05-18 — — EP disclosed
EP-0596358-A1 0-Phenylenediamines containing fluoroakyl(ene) groups and their use as intermediates in the preparation of benzimidazoles BAYER AG (DE) 1994-05-11 — — 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 (4 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-11618744-B2 Benzoimidazoles as prolyl hydroxylase inhibitors P4HA1, PAH, EGLN3 ALDH1A1 46/4885CYP3A4 115/4885TSHR 3326/4885
US-10851083-B2 Benzoimidazoles as prolyl hydroxylase inhibitors P4HA1, PAH, EGLN3 ALDH1A1 46/4885CYP3A4 115/4885TSHR 3326/4885
US-20180215732-A9 BENZOIMIDAZOLES AS PROLYL HYDROXYLASE INHIBITORS P4HA1, PAH, EGLN3 ALDH1A1 46/4885CYP3A4 115/4885TSHR 3326/4885
US-20210078978-A1 BENZOIMIDAZOLES AS PROLYL HYDROXYLASE INHIBITORS P4HA1, PAH, EGLN3 ALDH1A1 46/4885CYP3A4 115/4885TSHR 3326/4885

“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.