SCHEMBL6433557

SCHEMBL6433557

O=C(NCCc1ccc(O)cc1)C(F)(F)F

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.61
F13A1 P00488 1/20 0.61
ESRRG P62508 3/20 0.53
ESRRB O95718 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
CYP1A2 P05177 1/20 0.51
GAA P10253 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C19 P33261 1/20 0.51
RAB9A P51151 1/20 0.51
GFER P55789 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.50
TMEM97 Q5BJF2 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
PLAAT3 P53816 1/20 0.48
PLAAT5 Q96KN8 1/20 0.48

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
SCHEMBL4475970 0.91 KDM4E (0.51) KDM4EF13A1ESRRGESRRBSMN1; SMN2
SCHEMBL8699335 0.90 POLB (0.55) KDM4EF13A1ESRRGSMN1; SMN2ALDH1A1
SCHEMBL23346356 0.86 TRPV1 (0.50) KDM4EF13A1ESRRGESRRBSMN1; SMN2
SCHEMBL4179064 0.86 HPGD (0.57) SMN1; SMN2NPC1RAB9AALDH1A1PLAAT3
SCHEMBL5553483 0.84 PLAAT3 (0.58) SMN1; SMN2ALDH1A1POLBPLAAT3PLAAT5
SCHEMBL4700346 0.84 ESRRG (0.54) KDM4EF13A1ESRRGSMN1; SMN2GFER
SCHEMBL419646 0.84 CNR1 (0.50) SMN1; SMN2ALDH1A1POLBPLAAT3PLAAT5
SCHEMBL1094537 0.84 CNR1 (0.57) SMN1; SMN2NPC1CYP1A2GAACYP2D6
SCHEMBL4702861 0.84 ALDH1A1 (0.47) KDM4EF13A1SMN1; SMN2ALDH1A1POLB
SCHEMBL14141265 0.84 NPC1 (0.59) KDM4EF13A1SMN1; SMN2NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12188086-B2 Nucleotide analogues and use thereof for nucleic acid sequencing and analysis preliminary class THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2025-01-07 US disclosed
US-20230028321-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-01-26 US disclosed
US-20210139976-A1 NUCLEOTIDE ANALOGUES AND USE THEREOF FOR NUCLEIC ACID SEQUENCING AND ANALYSIS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-05-13 US disclosed
US-20210139976-A1 NUCLEOTIDE ANALOGUES AND USE THEREOF FOR NUCLEIC ACID SEQUENCING AND ANALYSIS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-05-13 US disclosed
EP-3765028-A1 NUCLEOTIDE ANALOGUES AND USE THEREOF FOR NUCLEIC ACID SEQUENCING AND ANALYSIS The Trustees of Columbia University in the City of New York (US) 2021-01-20 EP disclosed
CN-112218640-A Nucleotide analogs and their use in nucleic acid sequencing and analysis 哥伦比亚大学董事会 2021-01-12 CN disclosed
US-20200069717-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-03-05 US disclosed
WO-2019178393-A9 NUCLEOTIDE ANALOGUES AND USE THEREOF FOR NUCLEIC ACID SEQUENCING AND ANALYSIS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2019-10-24 WO disclosed
WO-2019178393-A1 NUCLEOTIDE ANALOGUES AND USE THEREOF FOR NUCLEIC ACID SEQUENCING AND ANALYSIS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2019-09-19 WO disclosed
WO-2019178547-A1 BENZOXAZINE POLYMERS AND METHODS OF MAKING AND USING THE SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-09-19 WO disclosed
EP-1042287-B1 INDOLE DERIVATIVES AS INHIBITORS OF FACTOR XA AVENTIS PHARMA GMBH (DE) 2005-04-20 EP disclosed
US-6337344-B1 ANTICOAGULANTS AND ENZYME INHIBITORS FOR CARDIOVASCULAR DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-01-08 US disclosed
EP-0781126-B1 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON SPA (IT) 2001-12-12 EP disclosed
EP-1042287-A1 INDOLE DERIVATIVES AS INHIBITORS OF FACTOR XA Aventis Pharma Deutschland GmbH (DE) 2000-10-11 EP disclosed
WO-1999033800-A1 INDOLE DERIVATIVES AS INHIBITORS OR FACTOR XA AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-07-08 WO disclosed
US-5773469-A Diaryl antimicrobial agents ORTHO PHARMACEUTICAL CORPORATION (US) 1998-06-30 US disclosed
WO-1997048674-A1 DIARYL ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-12-24 WO disclosed
US-5674909-A FOR TREATMENT OF CARDIOVASCULAR DISORDERS ZAMBON GROUP (IT) 1997-10-07 US disclosed
EP-0781126-A2 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.p.A. (IT) 1997-07-02 EP disclosed
WO-1996008228-A2 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.P.A. (IT) 1996-03-21 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 (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-20200069717-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, RNGTT KDM4E 3593/4885F13A1 3513/4885ESRRG 3415/4885
US-12188086-B2 Nucleotide analogues and use thereof for nucleic acid sequencing and analysis preliminary class NUDT1, NT5C3B, RNGTT KDM4E 3837/4885F13A1 2875/4885ESRRG 4221/4885
US-20210139976-A1 NUCLEOTIDE ANALOGUES AND USE THEREOF FOR NUCLEIC ACID SEQUENCING AND ANALYSIS NUDT1, NT5C3B, RNGTT KDM4E 4107/4885F13A1 3863/4885ESRRG 4041/4885
US-20230028321-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, NUDT1 KDM4E 3595/4885F13A1 3499/4885ESRRG 3369/4885

“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.