SCHEMBL2802038

SCHEMBL2802038

NCCCCCNC(=O)CS

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 2/20 0.57
HDAC1 Q13547 7/20 0.49
HDAC6 Q9UBN7 7/20 0.49
HDAC8 Q9BY41 6/20 0.49
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HDAC10 Q969S8 6/20 0.47
HDAC2 Q92769 5/20 0.47
HDAC3 O15379 3/20 0.47
HDAC4 P56524 3/20 0.47
HDAC7 Q8WUI4 3/20 0.47
HDAC11 Q96DB2 3/20 0.47
HDAC9 Q9UKV0 3/20 0.47
HDAC5 Q9UQL6 3/20 0.47
SLC6A5 Q9Y345 2/20 0.47
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
KDM4A O75164 1/20 0.44
HIF1A Q16665 1/20 0.44
TET2 Q6N021 1/20 0.44

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
SCHEMBL8432476 0.91
SCHEMBL1679985 0.89 ALDH1A1 (0.59) HDAC1HDAC6HDAC8ALDH1A1SMN1; SMN2
SCHEMBL1366504 0.89 ALDH1A1 (0.59) HDAC1HDAC6HDAC8ALDH1A1SMN1; SMN2
SCHEMBL12642842 0.83 PAOX (0.53) PAOXHDAC1HDAC6HDAC8ALDH1A1
SCHEMBL8293928 0.83 HDAC6 (0.49) HDAC1HDAC6HDAC8ALDH1A1SMN1; SMN2
SCHEMBL8293932 0.83 HDAC6 (0.49) HDAC1HDAC6HDAC8ALDH1A1SMN1; SMN2
SCHEMBL10276927 0.82 PAOX (0.61) PAOXALDH1A1SMN1; SMN2SLC6A5MAOA
SCHEMBL19186288 0.82 PAOX (0.61) PAOXALDH1A1SMN1; SMN2SLC6A5MAOA
SCHEMBL930344 0.82 ALDH1A1 (0.52) HDAC1HDAC6HDAC8ALDH1A1SMN1; SMN2
SCHEMBL9062908 0.82 PAOX (0.61) PAOXALDH1A1SMN1; SMN2SLC6A5MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3883926-B1 BIS-OCTAHYDROPHENANTHRENE CARBOXAMIDE DERIVATIVES AND PROTEIN CONJUGATES THEREOF FOR USE AS LXR AGONISTS REGENERON PHARMA (US) 2024-07-10 EP disclosed
US-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF FIREFLY BIO, INC. 2024-07-04 US disclosed
US-11786603-B2 Optimized transglutaminase site-specific antibody conjugation REGENERON PHARMACEUTICALS, INC. (US) 2023-10-17 US disclosed
US-20230285581-A1 RIFAMYCIN ANALOGS AND ANTIBODY-DRUG CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2023-09-14 US disclosed
WO-2023129518-A1 TUBULYSINS AND PROTEIN-TUBULYSIN CONJUGATES REGENERON PHARMACEUTICALS, INC. (US) 2023-07-06 WO disclosed
US-11666658-B2 Rifamycin analogs and antibody-drug conjugates thereof Regeneran Pharmaceuticals, Inc. (US) 2023-06-06 US disclosed
US-11666658-B2 Rifamycin analogs and antibody-drug conjugates thereof Regeneran Pharmaceuticals, Inc. (US) 2023-06-06 US disclosed
US-20230035898-A1 CYCLODEXTRIN PROTEIN DRUG CONJUGATES REGENERON PHARMACEUTICALS, INC. 2023-02-02 US disclosed
US-11377502-B2 Anti-MSR1 antibodies and methods of use thereof REGENERON PHARMACEUTICALS, INC. (US) 2022-07-05 US disclosed
US-20220112158-A1 BIS-OCTAHYDROPHENANTHRENE CARBOXAMIDES AND PROTEIN CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. 2022-04-14 US disclosed
US-20130189287-A1 ENZYMATIC CONJUGATION OF POLYPEPTIDES PAUL SCHERRER INSTITUT 2013-07-25 US disclosed
US-20130189287-A1 ENZYMATIC CONJUGATION OF POLYPEPTIDES PAUL SCHERRER INSTITUT 2013-07-25 US disclosed
WO-2013092998-A1 ENZYMATIC CONJUGATION OF ANTIBODIES INNATE PHARMA (FR) 2013-06-27 WO disclosed
EP-2258677-A2 Histone deacetylase inhibitors and methods of use thereof GEORGETOWN UNIVERSITY (US) 2010-12-08 EP disclosed
US-20090163543-A1 Histone Deacetylase Inhibitors and Methods of Use Thereof GEORGETOWN UNIVERSITY (US) 2009-06-25 US disclosed
US-7507828-B2 Histone deacetylase inhibitors and methods of use thereof GEORGETOWN UNIVERSITY (US) 2009-03-24 US disclosed
EP-1644323-A4 HISTONE DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF UNIV GEORGETOWN (US) 2007-06-20 EP disclosed
EP-1644323-A2 HISTONE DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2006-04-12 EP disclosed
US-20050032831-A1 Histone deacetylase inhibitors and methods of use thereof GEORGETOWN UNIVERSITY 2005-02-10 US disclosed
WO-2005007091-A2 HISTONE DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2005-01-27 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 (10 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-20130189287-A1 ENZYMATIC CONJUGATION OF POLYPEPTIDES DNPEP, ENPEP, PEPD PAOX 899/4885HDAC1 2469/4885HDAC6 734/4885
US-20090163543-A1 Histone Deacetylase Inhibitors and Methods of Use Thereof HDAC5, HDAC6, HDAC1 PAOX 2322/4885HDAC1 3/4885HDAC6 2/4885
US-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF NR3C1, NR3C2, MC2R PAOX 728/4885HDAC1 1432/4885HDAC6 832/4885
US-20050032831-A1 Histone deacetylase inhibitors and methods of use thereof HDAC5, HDAC6, HDAC1 PAOX 2322/4885HDAC1 3/4885HDAC6 2/4885
US-20220112158-A1 BIS-OCTAHYDROPHENANTHRENE CARBOXAMIDES AND PROTEIN CONJUGATES THEREOF NR1H4, NR1H3, OGFR PAOX 475/4885HDAC1 1095/4885HDAC6 456/4885
US-11666658-B2 Rifamycin analogs and antibody-drug conjugates thereof ASGR1, CUTA, SRPRA PAOX 3585/4885HDAC1 1914/4885HDAC6 1142/4885
US-11786603-B2 Optimized transglutaminase site-specific antibody conjugation TGM2, TGM3, TGM1 PAOX 2510/4885HDAC1 3184/4885HDAC6 1390/4885
US-20230035898-A1 CYCLODEXTRIN PROTEIN DRUG CONJUGATES SDCBP, DDOST, KRTCAP2 PAOX 3268/4885HDAC1 2093/4885HDAC6 218/4885
US-20230285581-A1 RIFAMYCIN ANALOGS AND ANTIBODY-DRUG CONJUGATES THEREOF ASGR1, CUTA, SRPRA PAOX 3585/4885HDAC1 1914/4885HDAC6 1142/4885
US-11377502-B2 Anti-MSR1 antibodies and methods of use thereof CD47, MSR1, LDLR PAOX 4125/4885HDAC1 1564/4885HDAC6 1464/4885

“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.