Sugi Predict

Sugi Predict / Compounds / SCHEMBL4048618

SCHEMBL4048618

SCHEMBL4048618

Nc1ccc(-c2ccc(F)cc2)cc1N

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.70
▸ MEN1 O00255 1/20 0.70
▸ KMT2A Q03164 1/20 0.70
▸ KCNH2 Q12809 2/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ CYP17A1 P05093 2/20 0.47
▸ CYP19A1 P11511 2/20 0.47
▸ CYP11B1 P15538 2/20 0.47
▸ CYP11B2 P19099 2/20 0.47
▸ TAAR1 Q96RJ0 1/20 0.45
▸ HDAC2 Q92769 4/20 0.45
▸ MAP4K4 O95819 1/20 0.44
▸ HDAC3 O15379 3/20 0.42
▸ HDAC1 Q13547 3/20 0.42
▸ CYP3A4 P08684 4/20 0.42
▸ TSHR P16473 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ PGR P06401 1/20 0.41
▸ AGXT P21549 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
SCHEMBL29655267 1.00 TDP1 (0.70) TDP1MEN1KMT2AKCNH2ALDH1A1
SCHEMBL12772920 0.87 TDP1 (0.93) TDP1MEN1KMT2AKCNH2ALDH1A1
Hydrochloric Acid SCHEMBL1646515 0.84 TDP1 (0.88) TDP1MEN1KMT2AKCNH2ALDH1A1
SCHEMBL29349835 0.84 TDP1 (1.00) TDP1MEN1KMT2AKCNH2ALDH1A1
SCHEMBL23855 0.84 TDP1 (1.00) TDP1MEN1KMT2AKCNH2ALDH1A1
SCHEMBL3823490 0.83 ALDH1A1 (0.65) TDP1MEN1KMT2AALDH1A1CYP11B1
SCHEMBL15234491 0.83 CYP1A1 (0.51) TDP1MEN1KMT2AALDH1A1TAAR1
SCHEMBL28701511 0.83 TDP1 (0.67) TDP1MEN1KMT2AKCNH2ALDH1A1
SCHEMBL15234523 0.83 CYP1A1 (0.51) TDP1MEN1KMT2AALDH1A1TAAR1
Water SCHEMBL3137651 0.81 TDP1 (0.93) TDP1MEN1KMT2AKCNH2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023102162-A1 TGONOVEL HDAC INHIBITORS AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. (US) 2023-06-08 — — WO disclosed
CN-111747933-B Substituted 1,3, 5-triazine compound, composition and application thereof 吉林省元合电子材料有限公司 2022-03-01 — — CN disclosed
US-11180459-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2021-11-23 — — US disclosed
US-11180459-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2021-11-23 — — US disclosed
CN-111747933-A Substituted 1,3, 5-triazine compound, composition and application thereof 吉林省元合电子材料有限公司 2020-10-09 — — CN disclosed
WO-2020199996-A1 SUBSTITUTED 1,3,5-TRIAZINE COMPOUND, COMPOSITION AND APPLICATION THEREOF 吉林省元合电子材料有限公司 2020-10-08 — — WO disclosed
US-20200140393-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERISTY OF NEW JERSEY (US) 2020-05-07 — — US disclosed
US-20200140393-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERISTY OF NEW JERSEY (US) 2020-05-07 — — US disclosed
WO-2018165612-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-09-13 — — WO disclosed
CN-104703981-B As the benzimidazoles compound of CNS activity medicament 霍夫曼-拉罗奇有限公司 2017-03-29 — — CN disclosed
EP-1565455-A1 INDOLYL PYRAZINONE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS Bayer Pharmaceuticals Corporation (US) 2005-08-24 — — EP disclosed
WO-2004043950-A1 INDOLYL PYRAZINONE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER PHARMACEUTICALS CORPORATION (US) 2004-05-27 — — WO disclosed
EP-1224175-B1 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2004-03-17 — — EP disclosed
US-20030092677-A1 Glutamate receptor antagonists ADAM GEO (DE) 2003-05-15 — — US disclosed
US-6509328-B1 Metabotropic glutamate receptor antagonists and accordingly are useful for the treatment of a range of neurological disorders, including psychosis, schizophrenia, Alzheimer's and others HOFFMANN-LA ROCHE INC. 2003-01-21 — — US disclosed
EP-1224175-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 — — EP disclosed
WO-2001029012-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 — — WO disclosed
CN-1049217-C 1,5-benzodiazepine derivatives GLAXO SPA (IT) 2000-02-09 — — CN disclosed
CN-1077952-A CARBAMATE DERIVATIVES GLAXO SPA (IT) 1993-11-03 — — CN disclosed
CN-1074678-A 1, the 5-benzodiazepine derivatives GLAXO SPA (IT) 1993-07-28 — — CN 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 (3 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-11180459-B2 Bacterial efflux pump inhibitors ABCB11, ABCB1, SLC47A1 TDP1 2480/4885MEN1 4292/4885KMT2A 4690/4885
US-20030092677-A1 Glutamate receptor antagonists GRM1, GRM3, GRM2 TDP1 4338/4885MEN1 3699/4885KMT2A 1397/4885
US-20200140393-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 TDP1 2480/4885MEN1 4292/4885KMT2A 4690/4885

“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.