SCHEMBL3777284

SCHEMBL3777284

O=c1ccc2cc(C(F)(F)F)ccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.55
▸ CA12 O43570 3/20 0.55
▸ CA9 Q16790 3/20 0.55
▸ F11 P03951 1/20 0.55
▸ KIF11 P52732 3/20 0.54
▸ KDM4E B2RXH2 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA3 P07451 1/20 0.47
▸ CA4 P22748 1/20 0.47
▸ CA6 P23280 1/20 0.47
▸ CA5A P35218 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ CA13 Q8N1Q1 1/20 0.47
▸ CA14 Q9ULX7 1/20 0.47
▸ CA5B Q9Y2D0 1/20 0.47
▸ METAP2 P50579 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ DGAT1 O75907 1/20 0.43
▸ SOAT1 P35610 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43

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
SCHEMBL29456298 1.00 AR (0.55) ARCA12CA9F11KIF11
Acetic Acid SCHEMBL27456011 0.91 CA12 (0.50) ARCA12CA9F11KIF11
SCHEMBL20660889 0.87 KIF11 (0.63) ARCA12CA9F11KIF11
SCHEMBL30946289 0.87 KIF11 (0.63) ARCA12CA9F11KIF11
SCHEMBL4294313 0.86 AR (0.50) ARCA12CA9F11KIF11
SCHEMBL1082200 0.82 KIF11 (0.56) ARCA12CA9F11KIF11
SCHEMBL762006 0.81 CA12 (0.59) ARCA12CA9F11KIF11
Valeric Acid SCHEMBL27545189 0.81 AR (0.43) ARCA12CA9F11KIF11
SCHEMBL25904486 0.78 KIF11 (0.43) ARCA12CA9F11KIF11
SCHEMBL7896641 0.77 KIF11 (0.50) ARCA12CA9F11KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12258354-B2 AhR modulators IDEAYA BIOSCIENCES, INC. (US) 2025-03-25 — — US disclosed
US-20240327354-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS INSTITUT PASTEUR DE LILLE (FR) 2024-10-03 — — US disclosed
EP-3749669-B3 AHR MODULATORS IDEAYA BIOSCIENCES INC (US) 2024-09-04 — — EP disclosed
CN-111683950-B AhR modulators 伊迪亚生物科学有限公司 2024-04-16 — — CN disclosed
US-20230242512-A1 ISOINDOLINES AS HDAC INHIBITORS VALO HEALTH, INC. 2023-08-03 — — US disclosed
US-20230242512-A1 ISOINDOLINES AS HDAC INHIBITORS VALO HEALTH, INC. 2023-08-03 — — US disclosed
EP-4219495-A1 AHR MODULATORS Ideaya Biosciences, Inc. (US) 2023-08-02 — — EP disclosed
EP-4219495-A1 AHR MODULATORS Ideaya Biosciences, Inc. (US) 2023-08-02 — — EP disclosed
EP-3749669-B1 AHR MODULATORS IDEAYA BIOSCIENCES INC (US) 2023-03-08 — — EP disclosed
US-20230039955-A1 AhR MODULATORS IDEAYA BIOSCIENCES, INC. 2023-02-09 — — US disclosed
WO-2014081697-A2 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL LIMITED (US) 2014-05-30 — — WO disclosed
US-20140142114-A1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL LIMITED (US) 2014-05-22 — — US disclosed
US-20140142114-A1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL LIMITED (US) 2014-05-22 — — US disclosed
US-8450363-B2 Inhibitors of Jun N-terminal kinase ELAN PHARMACEUTICALS, INC. (US) 2013-05-28 — — US disclosed
US-20130072494-A1 INHIBITORS OF JUN N-TERMINAL KINASE ELAN PHARMACEUTICALS, INC. 2013-03-21 — — US disclosed
EP-2393806-A1 INHIBITORS OF JUN N-TERMINAL KINASE Elan Pharmaceuticals Inc. (US) 2011-12-14 — — EP disclosed
US-20100331335-A1 Inhibitors of Jun N-Terminal Kinase ELAN PHARMACETICALS, INC. 2010-12-30 — — US disclosed
WO-2010091310-A1 INHIBITORS OF JUN N-TERMINAL KINASE ELAN PHARMACEUTICALS, INC. (US) 2010-08-12 — — WO disclosed
EP-1474401-A2 NOVEL ARYL- AND HETEROARYLPIPERAZINES NOVO NORDISK A/S (DK) 2004-11-10 — — EP disclosed
WO-2003066604-A2 NOVEL ARYL- AND HETEROARYLPIPERAZINES NOVO NORDISK A/S (DK) 2003-08-14 — — 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-20230242512-A1 ISOINDOLINES AS HDAC INHIBITORS HDAC1, HDAC2, HDAC3 AR 1068/4885CA12 3462/4885CA9 4034/4885
US-20240327354-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS ABCB11, ABCB1, ATP4B AR 4370/4885CA12 4622/4885CA9 2996/4885
US-20230039955-A1 AhR MODULATORS AHR, ARNT, RORB AR 80/4885CA12 4719/4885CA9 4689/4885
US-12258354-B2 AhR modulators AHR, ARNT, RORB AR 77/4885CA12 4726/4885CA9 4694/4885
US-20130072494-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 AR 1510/4885CA12 4434/4885CA9 3495/4885
US-20140142114-A1 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF CYP3A5, ABCC5, CXXC5 AR 3315/4885CA12 2469/4885CA9 965/4885
US-20100331335-A1 Inhibitors of Jun N-Terminal Kinase CHUK, MAPK6, MAPK3 AR 1510/4885CA12 4434/4885CA9 3495/4885

“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.

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