SCHEMBL3360093

SCHEMBL3360093

NCc1ccc(N)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
LOXL2 Q9Y4K0 3/20 0.48
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
TAAR1 Q96RJ0 2/20 0.41
HRH3 Q9Y5N1 1/20 0.40
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ROCK1 Q13464 1/20 0.37
ABAT P80404 1/20 0.37
CYP3A4 P08684 1/20 0.37
PNMT P11086 1/20 0.37

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
Hydrochloric Acid SCHEMBL1160960 0.98 ALDH1A1 (0.50) ALDH1A1LOXL2CA12CA1CA2
SCHEMBL6682241 0.84 TAAR1 (0.54) ALDH1A1TAAR1PNMT
SCHEMBL864771 0.83 ALDH1A1 (0.54) ALDH1A1CA12CA1CA2CA4
SCHEMBL8281240 0.81 LOXL2 (0.48) LOXL2TAAR1HRH3ROCK1ABAT
SCHEMBL8765042 0.81 ALDH1A1 (0.52) ALDH1A1CA12CA1CA2CA4
SCHEMBL29467998 0.81 LOXL2 (0.48) LOXL2TAAR1HRH3ROCK1ABAT
SCHEMBL23413337 0.80 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA4
SCHEMBL110823 0.80 LOXL2 (0.52) ALDH1A1LOXL2TAAR1HRH3ABAT
SCHEMBL29463242 0.80 LOXL2 (0.52) ALDH1A1LOXL2TAAR1HRH3ABAT
SCHEMBL5550176 0.79 ALDH1A1 (0.50) ALDH1A1CA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101203244-A Compositions of rennin inhibitor and insulin secernent or insulin sensitizer NOVARTIS AG (CH) 2008-06-18 CN claimed
CN-101163504-A Combination therapy XENON PHARMACEUTICALS INC (CA) 2008-04-16 CN claimed
US-20250179072-A1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2025-06-05 US disclosed
CN-114206870-B Tricyclic AKR1C 3-dependent KARS inhibitors 诺华股份有限公司 2024-09-03 CN disclosed
US-20240262827-A1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2024-08-08 US disclosed
US-11970497-B2 Tricyclic AKR1C3 dependent KARS inhibitors NOVARTIS AG (CH) 2024-04-30 US disclosed
EP-4349839-A2 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS Novartis AG (CH) 2024-04-10 EP disclosed
EP-4013500-B1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS NOVARTIS AG (CH) 2023-10-25 EP disclosed
EP-4013500-B1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS NOVARTIS AG (CH) 2023-10-25 EP disclosed
US-20220315582-A1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2022-10-06 US disclosed
EP-4013500-A1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS Novartis AG (CH) 2022-06-22 EP disclosed
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds GILEAD SCIENCES. INC. 2005-10-27 US disclosed
US-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. 2005-09-22 US disclosed
CN-1649885-A Cellular Accumulation of Phosphonate Analogs of HIV Protease Inhibitor Compounds and Such Compounds GILEAD SCIENCES INC (US) 2005-08-03 CN disclosed
WO-2005064008-A1 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-07-14 WO disclosed
EP-1509537-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2005-03-02 EP disclosed
WO-2003090690-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2003-11-06 WO disclosed
EP-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 EP disclosed
EP-0680469-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1995-11-08 EP disclosed
WO-1994017035-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1994-08-04 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-20220315582-A1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS AKR1C2, AKR1B1, AKR1C1 ALDH1A1 234/4885LOXL2 3757/4885CA12 4387/4885
US-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds PPA1, PPME1, PNP ALDH1A1 3361/4885LOXL2 3805/4885CA12 4277/4885
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds CES1, PNP, PGLS ALDH1A1 3232/4885LOXL2 4057/4885CA12 3470/4885
US-20250179072-A1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS AKR1C2, AKR1B1, AKR1C1 ALDH1A1 234/4885LOXL2 3757/4885CA12 4387/4885
US-11970497-B2 Tricyclic AKR1C3 dependent KARS inhibitors AKR1C2, AKR1B1, AKR1C1 ALDH1A1 234/4885LOXL2 3757/4885CA12 4387/4885
US-20240262827-A1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS AKR1C2, AKR1B1, AKR1C1 ALDH1A1 234/4885LOXL2 3757/4885CA12 4387/4885

“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.