SCHEMBL628398

SCHEMBL628398

O=C(NC(F)(F)F)c1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
THRB P10828 1/20 0.57
LMNA P02545 1/20 0.57
HIF1A Q16665 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MAPK1 P28482 1/20 0.57
PLOD2 O00469 1/20 0.57
PLOD3 O60568 1/20 0.57
PLOD1 Q02809 1/20 0.57
ROCK2 O75116 1/20 0.56
ROCK1 Q13464 1/20 0.56
TSHR P16473 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
NPC1 O15118 1/20 0.54
TP53 P04637 1/20 0.54
RAB9A P51151 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 3/20 0.53

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 SCHEMBL6828319 0.98 HDAC1 (0.61) HDAC1HDAC6THRBLMNAHIF1A
SCHEMBL31268672 0.82 HDAC1 (0.62) HDAC1HDAC6THRBLMNAHIF1A
SCHEMBL2732281 0.82 HDAC1 (0.62) HDAC1HDAC6THRBLMNAHIF1A
SCHEMBL22711347 0.79 HDAC1 (0.69) HDAC1HDAC6THRBLMNAHIF1A
SCHEMBL1234255 0.79 HDAC1 (0.59) HDAC1HDAC6THRBLMNAHIF1A
SCHEMBL20906843 0.79 HDAC1 (0.59) HDAC1HDAC6THRBLMNAHIF1A
SCHEMBL5361880 0.79 HDAC1 (0.74) HDAC1HDAC6THRBLMNAHIF1A
SCHEMBL2000041 0.79 HDAC1 (0.74) HDAC1HDAC6THRBLMNAHIF1A
SCHEMBL1116605 0.78 THRB (0.66) HDAC1HDAC6THRBLMNAHIF1A
SCHEMBL20916923 0.78 HDAC1 (0.57) HDAC1HDAC6THRBLMNAHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12180185-B2 Compound as protein kinase inhibitor, and pharmaceutical composition comprising thereof HK INNO.N CORPORATION (KR) 2024-12-31 US claimed
US-11655268-B2 Nucleoside or nucleotide derivatives, and uses thereof ST PHARM CO., LTD. (KR) 2023-05-23 US claimed
EP-4149945-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2023-03-22 EP claimed
EP-4135519-A1 ACTIVE COMPOUND COMBINATIONS AND FUNGICIDE COMPOSITIONS COMPRISING THOSE Bayer Aktiengesellschaft (DE) 2023-02-22 EP claimed
US-20220009902-A1 NOVEL COMPOUND AS PROTEIN KINASE INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THEREOF HK INNO.N CORPORATION (KR) 2022-01-13 US claimed
WO-2021229302-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2021-11-18 WO claimed
WO-2021209368-A1 ACTIVE COMPOUND COMBINATIONS AND FUNGICIDE COMPOSITIONS COMPRISING THOSE BAYER AKTIENGESELLSCHAFT (DE) 2021-10-21 WO claimed
EP-3873893-A1 2-AMINO-N-HETEROARYL-NICOTINAMIDES AS NAV1.8 INHIBITORS Merck Sharp & Dohme Corp. (US) 2021-09-08 EP claimed
US-20210040135-A1 NOVEL NUCLEOSIDE OR NUCLEOTIDE DERIVATIVES, AND USES THEREOF ST PHARM CO., LTD. (KR) 2021-02-11 US claimed
EP-3744726-A1 NOVEL NUCLEOSIDE OR NUCLEOTIDE DERIVATIVES, AND USES THEREOF ST Pharm Co., Ltd. (KR) 2020-12-02 EP claimed
EP-2419420-A1 INDOLE DERIVATIVE MODULATORS OF THE ALPHA 7 NACHR Glaxo Group Limited (GB) 2012-02-22 EP claimed
EP-2254889-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF Merck Patent GmbH (DE) 2010-12-01 EP claimed
WO-2010119078-A1 INDOLE DERIVATIVE MODULATORS OF THE ALPHA 7 NACHR GLAXO GROUP LIMITED (GB) 2010-10-21 WO claimed
WO-2009108670-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK SERONO S.A. (CH) 2009-09-03 WO claimed
WO-2008130323-A1 NOVEL 8-PIPERAZINE-TETRAHYDRONAPHTALENE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2008-10-30 WO claimed
EP-1957461-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING Genentech, Inc. (US) 2008-08-20 EP claimed
EP-1893566-A1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA MERCK SHARP & DOHME LTD. (GB) 2008-03-05 EP claimed
EP-1565442-B1 PYRIDINE DERIVATIVES AS CB2 RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2007-11-14 EP claimed
WO-2007059157-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING GENENTECH, INC. (US) 2007-05-24 WO claimed
WO-2006131711-A1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA MERCK SHARP & DOHME LIMITED (GB) 2006-12-14 WO claimed

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-20210040135-A1 NOVEL NUCLEOSIDE OR NUCLEOTIDE DERIVATIVES, AND USES THEREOF PNP, SLC28A1, NT5C3B HDAC1 3018/4885HDAC6 2244/4885THRB 4152/4885
US-11655268-B2 Nucleoside or nucleotide derivatives, and uses thereof PNP, SLC28A1, NT5C3B HDAC1 2854/4885HDAC6 2440/4885THRB 4171/4885
US-12180185-B2 Compound as protein kinase inhibitor, and pharmaceutical composition comprising thereof MAP3K20, MAP3K1, MAP3K15 HDAC1 1035/4885HDAC6 753/4885THRB 1417/4885
US-20220009902-A1 NOVEL COMPOUND AS PROTEIN KINASE INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THEREOF MAP3K20, MAP3K1, MAP3K15 HDAC1 907/4885HDAC6 703/4885THRB 1318/4885

“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.