Sugi Predict

Sugi Predict / Compounds / SCHEMBL428785

SCHEMBL428785

SCHEMBL428785

CC(C)(CO)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.49
▸ POLB P06746 1/20 0.49
▸ TSHR P16473 1/20 0.48
▸ HSD11B1 P28845 1/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ ACHE P22303 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ CES1 P23141 1/20 0.44
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA5A P35218 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ PDK1 Q15118 1/20 0.43
▸ PDK3 Q15120 1/20 0.43
▸ PDK4 Q16654 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ LOXL2 Q9Y4K0 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL12982879 0.85 ALDH1A1 (0.49) ALDH1A1POLBTSHRHSD11B1HSD17B10
SCHEMBL8486687 0.83 HSD11B1 (0.50) ALDH1A1POLBTSHRHSD11B1HSD17B10
SCHEMBL6223902 0.82 ALDH1A1 (0.54) ALDH1A1POLBHSD11B1HSD17B10ACHE
SCHEMBL8743939 0.81 SHBG (0.52) ALDH1A1POLBTSHRHSD11B1HSD17B10
SCHEMBL2820079 0.81 HSD17B10 (0.47) ALDH1A1POLBTSHRHSD11B1HSD17B10
SCHEMBL394201 0.81 LOXL2 (0.52) ALDH1A1POLBTSHRHSD11B1HSD17B10
SCHEMBL6202390 0.80 ALDH1A1 (0.49) ALDH1A1POLBHSD11B1HSD17B10ACHE
SCHEMBL10943065 0.80 TSHR (0.52) ALDH1A1POLBTSHRHSD17B10ACHE
SCHEMBL22540967 0.79 ALDH1A1 (0.47) ALDH1A1POLBHSD11B1HSD17B10ACHE
SCHEMBL21008398 0.79 ALDH1A1 (0.50) ALDH1A1POLBHSD11B1HSD17B10ACHE

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
EP-2994470-B1 PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS FIBROBLAST GROWTH FACTOR INHIBITORS PRINCIPIA BIOPHARMA INC (US) 2018-04-18 — — EP disclosed
US-9630963-B2 Quinolone derivatives as fibroblast growth factor inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2017-04-25 — — US disclosed
US-9452996-B2 Inhibitors of c-fms kinase JANSSEN PHARMACEUTICA NV (BE) 2016-09-27 — — US disclosed
US-9452996-B2 Inhibitors of c-fms kinase JANSSEN PHARMACEUTICA NV (BE) 2016-09-27 — — US disclosed
US-9452996-B2 Inhibitors of c-fms kinase JANSSEN PHARMACEUTICA NV (BE) 2016-09-27 — — US disclosed
US-20160130268-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR INHIBITORS PRINCIPIA BIOPHARMA INC. 2016-05-12 — — US disclosed
EP-2021329-B1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2016-04-13 — — EP disclosed
EP-2021329-B1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2016-04-13 — — EP disclosed
EP-2994470-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR INHIBITORS Principia Biopharma Inc. (US) 2016-03-16 — — EP disclosed
EP-2628481-B1 Trisubstituted heterocycles as replication inhibitors of hepatitis C virus HCV ABBVIE BAHAMAS LTD (BS) 2016-02-24 — — EP disclosed
US-6878714-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2005-04-12 — — US disclosed
WO-2005021532-A1 SUBSTITUTED 2,3-DIHYDRO-1H-ISOINDOL-1-ONE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2005-03-10 — — WO disclosed
US-20050054670-A1 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use AMGEN INC. 2005-03-10 — — US disclosed
EP-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 — — EP disclosed
US-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 — — US disclosed
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 — — US disclosed
US-6534546-B1 Guanidine- or isothioureido-N-derived anilines; brain, nervous system, and neurodegenerative disorders CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-18 — — US disclosed
CN-1310169-A Anils with nitric oxide synzyme inhibiting function SHUGAI SEIYAKU K K (JP) 2001-08-29 — — CN disclosed
CN-1172473-A Aniline derivatives having nitric oxide synthase inhibitory activity CHUGAI PHARMACEUTICAL CO LTD (JP) 1998-02-04 — — CN disclosed
EP-0798292-A1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 1997-10-01 — — 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 (4 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-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC ALDH1A1 389/4885POLB 687/4885TSHR 2749/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO ALDH1A1 261/4885POLB 648/4885TSHR 3229/4885
US-20160130268-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR INHIBITORS FGFR1, FGFR3, FGFR2 ALDH1A1 938/4885POLB 1283/4885TSHR 3801/4885
US-20050054670-A1 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use VHL, DPYD, UGT1A1 ALDH1A1 58/4885POLB 887/4885TSHR 4786/4885

“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.