SCHEMBL17334258

SCHEMBL17334258

Nc1ccc(OC(F)F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
ALOX15 P16050 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
GFER P55789 1/20 0.39
ADAM17 P78536 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
NR4A1 P22736 1/20 0.37
APP P05067 1/20 0.36
DRD1 P21728 2/20 0.36
ATM Q13315 2/20 0.35

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
SCHEMBL5951484 0.83 NR4A1 (0.56) ALDH1A1ALOX15GFERADAM17NR4A1
SCHEMBL29373010 0.83 NR4A1 (0.56) ALDH1A1ALOX15GFERADAM17NR4A1
SCHEMBL6305238 0.82 ALDH1A1 (0.45) ALDH1A1HDAC1HDAC6CA12CA1
SCHEMBL9501793 0.81 ALDH1A1 (0.41) ALDH1A1HDAC1HDAC6CA12CA1
Hydrochloric Acid SCHEMBL9526180 0.81 NR4A1 (0.54) ALDH1A1ALOX15GFERADAM17NR4A1
SCHEMBL3729816 0.81 DRD1 (0.55) ALDH1A1DRD1MAPTBACE1
SCHEMBL14596841 0.80 ALOX15 (0.42) ALDH1A1ALOX15GFERADAM17DRD1
Hydrochloric Acid SCHEMBL3378517 0.80 ALDH1A1 (0.43) ALDH1A1HDAC1HDAC6CA12CA1
SCHEMBL9487472 0.79 ALDH1A1 (0.42) ALDH1A1HDAC1HDAC6CA12CA1
SCHEMBL863328 0.78 NR4A1 (0.61) ALDH1A1HDAC1HDAC6GFERCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026087442-A1 AMINO-IMIDAZOLE ANTIBACTERIAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2026-04-30 WO disclosed
EP-4313981-B1 3,4-DIHYDRO-2,7-NAPHTHYRIDINE-1,6(2H,7H)-DIONES AS MEK INHIBITORS PFIZER (US) 2026-02-25 EP disclosed
EP-4619402-A1 GPR17 MODULATORS AND USES THEREOF Myrobalan Therapeutics, Inc. (US) 2025-09-24 EP disclosed
US-20250263411-A1 3,4-DIHYDRO-2,7-NAPHTHYRIDINE-1,6(2H,7H)-DIONES AS MEK INHIBITORS PFIZER INC. (US) 2025-08-21 US disclosed
CN-119613396-A Pyrrolo-heterocyclic-3-sulfonamide compounds and their use in the preparation of inhibitors of the GPR17 receptor 迈巴制药(南京)有限公司 2025-03-14 CN disclosed
EP-4139286-B1 SUBSTITUTED AMINOTHIAZOLES AS DGKZETA INHIBITORS FOR IMMUNE ACTIVATION BAYER AG (DE) 2025-02-26 EP disclosed
CN-119192200-A Bicyclic heterocyclic compounds, preparation method and medical application thereof 华润医药研究院(深圳)有限公司 2024-12-27 CN disclosed
WO-2024104462-A1 GPR17 MODULATORS AND USES THEREOF MYROBALAN THERAPEUTICS NANJING CO. LTD (CN) 2024-05-23 WO disclosed
US-11964953-B2 Substituted aminothiazoles as DGKzeta inhibitors for immune activation BAYER AKTIENGESELLSCHAFT (DE) 2024-04-23 US disclosed
CN-117561255-A 3, 4-dihydro-2, 7-naphthyridine-1, 6 (2H, 7H) -dione compounds as MEK inhibitors 辉瑞公司 2024-02-13 CN disclosed
US-10968169-B2 Urea derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-04-06 US disclosed
US-20200352931-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2020-11-12 US disclosed
EP-3524240-A1 UREA DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2019-08-14 EP disclosed
CN-109843283-A Urea derivative 第一三共株式会社 2019-06-04 CN disclosed
US-9676782-B2 Substituted pyrazolo[1,5-a]pyrazines as negative allosteric modulators of metabotropic glutamate receptor 3 VANDERBILT UNIVERSITY (US) 2017-06-13 US disclosed
US-9676782-B2 Substituted pyrazolo[1,5-a]pyrazines as negative allosteric modulators of metabotropic glutamate receptor 3 VANDERBILT UNIVERSITY (US) 2017-06-13 US disclosed
US-9676782-B2 Substituted pyrazolo[1,5-a]pyrazines as negative allosteric modulators of metabotropic glutamate receptor 3 VANDERBILT UNIVERSITY (US) 2017-06-13 US disclosed
US-20150361081-A1 NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 3 VANDERBILT UNIVERSITY 2015-12-17 US disclosed
US-20150361081-A1 NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 3 VANDERBILT UNIVERSITY 2015-12-17 US disclosed
US-20150361081-A1 NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 3 VANDERBILT UNIVERSITY 2015-12-17 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 (5 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-20200352931-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT ALDH1A1 825/4885ALOX15 931/4885HDAC1 157/4885
US-10968169-B2 Urea derivative IDO1, IDO2, UTS2R ALDH1A1 564/4885ALOX15 2137/4885HDAC1 169/4885
US-20150361081-A1 NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 3 GRM3, GRM1, GRIN3A ALDH1A1 4735/4885ALOX15 3741/4885HDAC1 1432/4885
US-11964953-B2 Substituted aminothiazoles as DGKzeta inhibitors for immune activation DGKZ, DGKA, DGKG ALDH1A1 3985/4885ALOX15 1381/4885HDAC1 2796/4885
US-20250263411-A1 3,4-DIHYDRO-2,7-NAPHTHYRIDINE-1,6(2H,7H)-DIONES AS MEK INHIBITORS NRAS, KRAS, BRAF ALDH1A1 1249/4885ALOX15 3297/4885HDAC1 411/4885

“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.