SCHEMBL3750650

SCHEMBL3750650

O=C(NCCN1CCOCC1)C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.58
CD274 Q9NZQ7 3/20 0.53
TDP1 Q9NUW8 1/20 0.53
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.49
EPHX2 P34913 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HTR1A P08908 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
KCNH2 Q12809 1/20 0.49

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
SCHEMBL3749226 0.90 LMNA (0.72) LMNATSHREPHX2ALDH1A1
SCHEMBL13985752 0.87 LMNA (0.55) LMNACD274TDP1CA12CA1
SCHEMBL15025303 0.84 LMNA (0.52) LMNACD274TDP1CA12CA1
SCHEMBL13985749 0.84 LMNA (0.52) LMNACD274TDP1CA12CA1
SCHEMBL13985750 0.84 LMNA (0.52) LMNACD274TDP1CA12CA1
SCHEMBL13985634 0.84 LMNA (0.56) LMNACD274TDP1CA12CA1
SCHEMBL15025374 0.83 LMNA (0.51) LMNACD274TDP1CA12CA1
SCHEMBL2698834 0.83 LMNA (0.62) LMNATDP1CA12CA1CA2
SCHEMBL5566464 0.82 CA12 (0.54) CA12CA1CA2CA9EPHX2
SCHEMBL15025309 0.82 LMNA (0.50) LMNACD274TDP1CA12CA1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912988-B1 7-SUBSTITUTED AZA-INDAZOLES, COMPOSITIONS CONTAINING SAME, PRODUCTION METHOD AND USE THEREOF AVENTIS PHARMA SA (FR) 2014-04-16 EP claimed
US-20080182844-A1 7-Substituted Aza-Indazoles, Compositions Containing Same, Production Method and Use Thereof AVENTIS PHARMA S.A. (FR) 2008-07-31 US claimed
EP-2602660-B1 Chemically amplified negative resist composition, photo-curable dry film, making method, pattern forming process, and electric/electronic part protecting film SHINETSU CHEMICAL CO (JP) 2019-03-20 EP disclosed
US-9158191-B2 Chemically amplified negative resist composition, photo-curable dry film, making method, pattern forming process, and electric/electronic part protecting film SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-10-13 US disclosed
US-9158191-B2 Chemically amplified negative resist composition, photo-curable dry film, making method, pattern forming process, and electric/electronic part protecting film SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-10-13 US disclosed
US-20130149493-A1 CHEMICALLY AMPLIFIED NEGATIVE RESIST COMPOSITION, PHOTO-CURABLE DRY FILM, MAKING METHOD, PATTERN FORMING PROCESS, AND ELECTRIC/ELECTRONIC PART PROTECTING FILM SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-06-13 US disclosed
US-20130149493-A1 CHEMICALLY AMPLIFIED NEGATIVE RESIST COMPOSITION, PHOTO-CURABLE DRY FILM, MAKING METHOD, PATTERN FORMING PROCESS, AND ELECTRIC/ELECTRONIC PART PROTECTING FILM SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-06-13 US disclosed
US-7838518-B2 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders N.V. ORGANON (NL) 2010-11-23 US disclosed
US-7468236-B2 Amine compound, chemically amplified resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2008-12-23 US disclosed
US-20080182844-A1 7-Substituted Aza-Indazoles, Compositions Containing Same, Production Method and Use Thereof AVENTIS PHARMA S.A. (FR) 2008-07-31 US disclosed
EP-1476151-B1 1-ARYLSULFONYL-3-SUBSTITUED INDOLE AND INDOLINE DERIVATES USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ORGANON NV (NL) 2008-07-16 EP disclosed
US-20070087287-A1 Amine compound, chemically amplified resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. 2007-04-19 US disclosed
US-20050154023-A1 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders MERCK SHARP & DOHME B.V. (NL) 2005-07-14 US disclosed
EP-1476151-A1 1-ARYLSULFONYL-3-SUBSTITUED INDOLE AND INDOLINE DERIVATES USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS Akzo Nobel N.V. (NL) 2004-11-17 EP disclosed
WO-2003068220-A1 1-ARYLSULFONYL-3-SUBSTITUTED INDOLE AND INDOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS AKZO NOBEL N.V. (NL) 2003-08-21 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 (2 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-20050154023-A1 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders TPH1, HTR1A, HTR1D LMNA 1334/4885CD274 1728/4885TDP1 800/4885
US-20080182844-A1 7-Substituted Aza-Indazoles, Compositions Containing Same, Production Method and Use Thereof PRMT7, PRKACA, PRKX LMNA 4091/4885CD274 4281/4885TDP1 1673/4885

“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.