SCHEMBL1505899

SCHEMBL1505899

O=[N+]([O-])c1cc(F)cc(C(F)(F)F)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP3A4 P08684 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
HIF1A Q16665 1/20 0.48
TXNRD1 Q16881 1/20 0.48
TXNRD3 Q86VQ6 1/20 0.48
TXNRD2 Q9NNW7 1/20 0.48
KIF11 P52732 2/20 0.41
CYP19A1 P11511 1/20 0.41
PTPN5 P54829 1/20 0.41
P2RX1 P51575 3/20 0.41
P2RX4 Q99571 1/20 0.41
P2RX7 Q99572 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA5A P35218 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL29658338 1.00 TSHR (0.48) TSHRALDH1A1CYP3A4TDP1HPGD
SCHEMBL1005841 0.87 TSHR (0.55) TSHRALDH1A1CYP3A4TDP1HPGD
SCHEMBL1996062 0.87 ALDH1A1 (0.55) TSHRALDH1A1CYP3A4TDP1HPGD
Hydrochloric Acid SCHEMBL28212666 0.85 TSHR (0.53) TSHRALDH1A1CYP3A4TDP1HPGD
SCHEMBL15542221 0.85 HTT (0.42) TSHRALDH1A1HIF1ACYP19A1CA1
Hydrazine SCHEMBL28307217 0.83 TSHR (0.52) TSHRALDH1A1CYP3A4TDP1HPGD
SCHEMBL20040867 0.83 HTT (0.41) TSHRALDH1A1HIF1ACYP19A1CA1
SCHEMBL13155130 0.82 HTT (0.47) TSHRALDH1A1TDP1HPGDHIF1A
SCHEMBL1172437 0.80 CYP19A1 (0.55) TSHRALDH1A1CYP3A4TDP1HPGD
SCHEMBL7203812 0.80 CYP19A1 (0.62) TSHRALDH1A1CYP3A4TDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112745739-A Fluorine-based modified epoxy resin coating and preparation method thereof 江西瀚泰新材料科技有限公司 2021-05-04 CN claimed
EP-4430042-B1 6-HETERO ARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS INC (US) 2026-02-18 EP disclosed
CN-120136750-A Diamino thioether compound and application thereof in self-repairing polyimide optical film 华中科技大学 2025-06-13 CN disclosed
EP-4267574-B1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS INC (US) 2025-04-23 EP disclosed
US-20240254125-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. 2024-08-01 US disclosed
US-12043632-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors AJAX THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
CN-115787350-B Fluorine-containing deacidification liquid for paper 国家图书馆 2024-05-31 CN disclosed
US-11970494-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors AJAX THERAPEUTICS, INC. (US) 2024-04-30 US disclosed
US-11834454-B2 Alkynylphenylbenzamide compounds and applications thereof SHENZHEN NEWDEL BIOTECH CO., LTD. (CN) 2023-12-05 US disclosed
EP-4267574-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. (US) 2023-11-01 EP disclosed
WO-2001051456-A2 ANTIBACTERIAL AGENTS TULARIK INC. (US) 2001-07-19 WO disclosed
WO-2000072849-A1 NOVEL EPIDERMAL GROWTH FACTOR RECEPTOR-BINDING COMPOUNDS FOR POSITRON EMISSION TOMOGRAPHY HADASIT MEDICAL RESEARCH SERVICES AND DEVELOPMENT LTD. (IL) 2000-12-07 WO disclosed
US-6126917-A RADIOLABELED COMPOUND HADASIT MEDICAL RESEARCH SERVICES AND DEVELOPMENT LTD. (IL) 2000-10-03 US disclosed
US-5675039-A DIAMINES AS MONOMERS FOR POLYIMIDES HAVING DESIRABLE PROPERTIES STULTS JEFFREY S (US) 1997-10-07 US disclosed
US-5498691-A FORMING POLYIMIDE RESINS OCCIDENTAL CHEMICAL CORPORATION (US) 1996-03-12 US disclosed
EP-0413192-B1 Method of making 1,1'-oxybis(3-nitro-5-Trifluoromethyl)benzene OCCIDENTAL CHEM CO (US) 1994-02-16 EP disclosed
EP-0413194-B1 NOVEL BIS M-BENZOTRIFLUORIDE COMPOUNDS OCCIDENTAL CHEMICAL CORPORATION (US) 1993-06-16 EP disclosed
EP-0413192-A1 Method of making 1,1'-oxybis(3-nitro-5-Trifluoromethyl)benzene OCCIDENTAL CHEMICAL CORPORATION (US) 1991-02-20 EP disclosed
EP-0413194-A1 Novel bis m-benzotrifluoride compounds OCCIDENTAL CHEMICAL CORPORATION (US) 1991-02-20 EP disclosed
US-4990670-A Method of making 1,1'-oxybis (3-nitro-5-trifluoromethyl)-benzene OCCIDENTAL CHEMICAL CORPORATION (US) 1991-02-05 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 (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-11970494-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors JAK2, JAK3, STAT5B TSHR 1333/4885ALDH1A1 3735/4885CYP3A4 2677/4885
US-11834454-B2 Alkynylphenylbenzamide compounds and applications thereof ALK, NTRK1, ERBB2 TSHR 759/4885ALDH1A1 972/4885CYP3A4 1522/4885
US-12043632-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors JAK2, JAK3, STAT5B TSHR 1333/4885ALDH1A1 3735/4885CYP3A4 2677/4885
US-20240254125-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS JAK2, JAK3, STAT5B TSHR 1333/4885ALDH1A1 3735/4885CYP3A4 2677/4885

“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.