Sugi Predict

Sugi Predict / Compounds / SCHEMBL904486

SCHEMBL904486

SCHEMBL904486

Nc1cc(C(F)(F)F)cc(Cl)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.48
▸ PTPN5 P54829 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GABRA2 P47869 5/20 0.39
▸ GABRB2 P47870 5/20 0.39
▸ GABRB3 P28472 5/20 0.39
▸ GABRP O00591 4/20 0.39
▸ GABRD O14764 4/20 0.39
▸ GABRA1 P14867 4/20 0.39
▸ GABRB1 P18505 4/20 0.39
▸ GABRG2 P18507 4/20 0.39
▸ GABRA5 P31644 4/20 0.39
▸ GABRA3 P34903 4/20 0.39
▸ GABRA4 P48169 4/20 0.39
▸ GABRE P78334 4/20 0.39
▸ GABRA6 Q16445 4/20 0.39
▸ GABRG1 Q8N1C3 4/20 0.39
▸ GABRG3 Q99928 4/20 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
SCHEMBL29746198 1.00 ALDH1A1 (0.48) ALDH1A1PTPN5KDM4EPOLBSMN1; SMN2
SCHEMBL967220 0.88 ALDH1A1 (0.50) ALDH1A1PTPN5KDM4EPOLBSMN1; SMN2
SCHEMBL30439201 0.88 ALDH1A1 (0.50) ALDH1A1PTPN5KDM4EPOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL29123267 0.86 ALDH1A1 (0.48) ALDH1A1PTPN5KDM4EPOLBSMN1; SMN2
Nitrogen SCHEMBL28714282 0.84 ALDH1A1 (0.46) ALDH1A1KDM4EPOLBSMN1; SMN2GABRA2
SCHEMBL27202379 0.83 ALDH1A1 (0.57) ALDH1A1PTPN5KDM4EHPGDPKM
SCHEMBL31304780 0.82 PTPN5 (0.42) ALDH1A1PTPN5KDM4EPOLBSMN1; SMN2
SCHEMBL1769094 0.82 PTPN5 (0.42) ALDH1A1PTPN5KDM4EPOLBSMN1; SMN2
SCHEMBL9339616 0.80 PTPN5 (0.41) ALDH1A1PTPN5KDM4EPOLBSMN1; SMN2
SCHEMBL531609 0.80 GABRB3 (0.41) ALDH1A1KDM4EPOLBSMN1; SMN2GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114702646-B Fluorenyl-biphenyl type epoxy material with high insulating property and preparation method thereof 合肥工业大学 2024-05-31 — — CN claimed
CN-114702646-A Fluorenyl-biphenyl epoxy material with high insulating property and preparation method thereof 合肥工业大学 2022-07-05 — — CN claimed
CN-103073598-A Synthesis of mononuclear (polynuclear) complex of Schiff's base and bismuth LI QIANGGUO 2013-05-01 — — CN claimed
WO-2025101780-A1 PHARMACOLOGICAL CORRECTORS OF RHODOPSIN AND USES THEREOF OCTANT, INC. (US) 2025-05-15 — — WO disclosed
US-20240383874-A1 BENZENE RING DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF XIZANG HAISCO PHARMACEUTICAL CO., LTD. 2024-11-21 — — US disclosed
CN-114702646-B Fluorenyl-biphenyl type epoxy material with high insulating property and preparation method thereof 合肥工业大学 2024-05-31 — — CN disclosed
CN-116529248-A Benzene ring derivative, composition and pharmaceutical application thereof 四川海思科制药有限公司 2023-08-01 — — CN disclosed
CN-114702646-A Fluorenyl-biphenyl epoxy material with high insulating property and preparation method thereof 合肥工业大学 2022-07-05 — — CN disclosed
WO-2022111526-A1 BENZENE RING DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF 四川海思科制药有限公司 2022-06-02 — — WO disclosed
WO-2022111526-A1 BENZENE RING DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF 四川海思科制药有限公司 2022-06-02 — — WO disclosed
EP-2621915-B1 NOVEL METHOD OF PREPARING BENZOIMIDAZOLE DERIVATIVES DAE WOONG PHARMA (KR) 2016-04-20 — — EP disclosed
WO-1994000124-A1 GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF WEBER ECKARD (US) 1994-01-06 — — WO disclosed
EP-0556334-A1 POLYSUBSTITUTED BENZIMIDAZOLES AS ANTIVIRAL AGENTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1993-08-25 — — EP disclosed
US-5236952-A Inhibit the enzyme catechol-O-methyltransferase; for treatment of Parkinson's disease administered with L-dopa HOFFMANN-LA ROCHE INC. (US) 1993-08-17 — — US disclosed
EP-0237929-B1 3,5-DISUBSTITUTED PYROCATECHOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1993-06-02 — — EP disclosed
WO-1992007867-A1 POLYSUBSTITUTED BENZIMIDAZOLES AS ANTIVIRAL AGENTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1992-05-14 — — WO disclosed
EP-0237929-A1 3,5-Disubstituted pyrocatechol derivatives F. HOFFMANN-LA ROCHE AG (CH) 1987-09-23 — — EP disclosed
EP-0012909-B1 BENZIMIDAZOLYL-2-ALKANE-PHOSPHONIC ACIDS AND THEIR SALTS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS CORROSION INHIBITORS OR WETTING AGENTS BAYER AG (DE) 1983-06-15 — — EP disclosed
US-4278791-A CORROSION RESISTANCE, WETTING AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1981-07-14 — — US disclosed
EP-0012909-A1 Benzimidazolyl-2-alkane-phosphonic acids and their salts, process for their preparation and their use as corrosion inhibitors or wetting agents BAYER AG (DE) 1980-07-09 — — 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 (1 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-20240383874-A1 BENZENE RING DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF AR, SF3B5, SF3B1 ALDH1A1 1041/4885PTPN5 3064/4885KDM4E 1765/4885

“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.