SCHEMBL4445658

SCHEMBL4445658

COC(=O)c1cc(CN)ccc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.54
ALDH1A1 P00352 5/20 0.53
HPGD P15428 4/20 0.53
HSD17B10 Q99714 4/20 0.53
KDM4E B2RXH2 4/20 0.53
GAA P10253 3/20 0.53
MAPT P10636 3/20 0.53
TSHR P16473 2/20 0.53
ALOX15 P16050 1/20 0.53
PARP1 P09874 1/20 0.44
ABL1 P00519 1/20 0.42
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 1/20 0.42
ATM Q13315 2/20 0.40
GLA P06280 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
CFTR P13569 2/20 0.40
FFAR4 Q5NUL3 1/20 0.39
L3MBTL1 Q9Y468 1/20 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
SCHEMBL29467972 1.00 LOXL2 (0.54) LOXL2ALDH1A1HPGDHSD17B10KDM4E
Hydrochloric Acid SCHEMBL6625958 0.98 LOXL2 (0.53) LOXL2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL4453621 0.89 TSHR (0.51) LOXL2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL507332 0.87 LOXL2 (0.54) LOXL2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL10202756 0.86 ALDH1A1 (0.51) ALDH1A1HPGDHSD17B10KDM4EGAA
Hydrochloric Acid SCHEMBL1169323 0.85 LOXL2 (0.53) LOXL2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL30514539 0.85 CYP4F2 (0.53) ALDH1A1HPGDHSD17B10KDM4EGAA
SCHEMBL14426335 0.85 CYP4F2 (0.53) ALDH1A1HPGDHSD17B10KDM4EGAA
SCHEMBL13141086 0.84 HPGD (0.50) LOXL2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL17478646 0.83 HPGD (0.49) ALDH1A1HPGDHSD17B10KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250179072-A1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2025-06-05 US disclosed
US-12168640-B2 USP9X inhibitors ProDeg, LLC (US) 2024-12-17 US disclosed
EP-4433462-A1 USP9X INHIBITORS Prodeg, LLC (US) 2024-09-25 EP 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
US-20230227418-A1 USP9X INHIBITORS ProDeg, LLC 2023-07-20 US disclosed
US-20230227418-A1 USP9X INHIBITORS ProDeg, LLC 2023-07-20 US disclosed
US-20160016910-A1 PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS BRISTOL-MEYERS SQUIBB COMPANY (US) 2016-01-21 US disclosed
US-20160016910-A1 PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS BRISTOL-MEYERS SQUIBB COMPANY (US) 2016-01-21 US disclosed
EP-2961745-A1 PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS Bristol-Myers Squibb Company (US) 2016-01-06 EP disclosed
WO-2015002915-A1 TRICYCLIC PYRI DO-CARBOXAM I D E DERIVATIVES AS ROCK INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-08 WO disclosed
WO-2015002915-A1 TRICYCLIC PYRI DO-CARBOXAM I D E DERIVATIVES AS ROCK INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-08 WO disclosed
WO-2014134388-A1 PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-04 WO disclosed
WO-2014134388-A1 PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-04 WO disclosed
US-20090275583-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2009-11-05 US disclosed
EP-1487455-A1 MORPHOLINE DERIVATIVES SUBSTITUTED AT THE 2-POSITION BY AN ARYLALKYLUREA GROUP FOR USE AS CCR-3 ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY CONDITIONS GLAXO GROUP LIMITED (GB) 2004-12-22 EP disclosed
WO-2003082292-A1 MORPHOLINE DERIVATIVES SUBSTITUTED AT THE 2-POSITION BY AN ARYLALKYLUREA GROUP FOR USE AS CCR-3 ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY CONDITIONS GLAXO GROUP LIMITED (GB) 2003-10-09 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 (7 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-20250179072-A1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS AKR1C2, AKR1B1, AKR1C1 LOXL2 3757/4885ALDH1A1 234/4885HPGD 1003/4885
US-11970497-B2 Tricyclic AKR1C3 dependent KARS inhibitors AKR1C2, AKR1B1, AKR1C1 LOXL2 3757/4885ALDH1A1 234/4885HPGD 1003/4885
US-12168640-B2 USP9X inhibitors USP9X, USP19, USP39 LOXL2 2440/4885ALDH1A1 2251/4885HPGD 3659/4885
US-20230227418-A1 USP9X INHIBITORS USP9X, USP19, USP39 LOXL2 2440/4885ALDH1A1 2251/4885HPGD 3659/4885
US-20160016910-A1 PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS ROCK1, ROCK2, MYLK LOXL2 1286/4885ALDH1A1 2675/4885HPGD 2040/4885
US-20240262827-A1 TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS AKR1C2, AKR1B1, AKR1C1 LOXL2 3757/4885ALDH1A1 234/4885HPGD 1003/4885
US-20090275583-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF MAVS, ZC3HAV1, EIF2AK2 LOXL2 4050/4885ALDH1A1 2676/4885HPGD 2528/4885

“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.