SCHEMBL2639284

SCHEMBL2639284

O=C(CS)Nc1cnc2ccccc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.74
HDAC2 Q92769 7/20 0.74
HDAC6 Q9UBN7 7/20 0.74
HDAC3 O15379 6/20 0.74
HDAC4 P56524 6/20 0.74
HDAC7 Q8WUI4 6/20 0.74
HDAC10 Q969S8 6/20 0.74
HDAC11 Q96DB2 6/20 0.74
HDAC8 Q9BY41 6/20 0.74
HDAC9 Q9UKV0 6/20 0.74
HDAC5 Q9UQL6 6/20 0.74
NOTUM Q6P988 1/20 0.64
KDR P35968 1/20 0.62
POLB P06746 4/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
MAPT P10636 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
KDM4E B2RXH2 4/20 0.61
RAB9A P51151 6/20 0.60

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
SCHEMBL14461305 0.89 HDAC1 (0.72) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL2641717 0.88 HDAC1 (0.81) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL16522144 0.86 HDAC1 (0.81) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL10207276 0.86 HDAC1 (1.00) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL21296662 0.85 HDAC1 (0.67) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL2639283 0.85 HDAC1 (0.67) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL4855534 0.85 HDAC6 (0.67) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL13365424 0.85 HDAC6 (0.67) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL4938762 0.85 RAB9A (0.68) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL27599000 0.85 HDAC1 (0.67) HDAC1HDAC2HDAC6HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1478653-B1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2014-07-02 EP claimed
JP-4603265-B2 2010-12-22 JP claimed
US-6995143-B2 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2006-02-07 US claimed
EP-1478653-A1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY Basilea Pharmaceutica AG (CH) 2004-11-24 EP claimed
US-20030212011-A1 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2003-11-13 US claimed
WO-2003072588-A1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2003-09-04 WO claimed
US-20240018144-A1 Synthesis of EGFR Modulators THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2024-01-18 US disclosed
US-20240018144-A1 Synthesis of EGFR Modulators THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2024-01-18 US disclosed
WO-2022081514-A1 SYNTHESIS OF EGFR MODULATORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2022-04-21 WO disclosed
WO-2022077154-A1 SYNTHESIS OF EGFR MODULATORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2022-04-21 WO disclosed
EP-1478653-B1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2014-07-02 EP disclosed
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT ABSOLUTE SCIENCE, INC. (US) 2011-08-04 US disclosed
US-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-10 US disclosed
WO-2010033360-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT 1/3 ABSOLUTE SCIENCE, INC. (US) 2010-03-25 WO disclosed
WO-2009045761-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES ABSOLUTE SCIENCE, INC. (US) 2009-04-09 WO disclosed
US-6995143-B2 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2006-02-07 US disclosed
EP-1478653-A1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY Basilea Pharmaceutica AG (CH) 2004-11-24 EP disclosed
US-20030212011-A1 Macrolides with antibacterial activity BASILEA PHARMACEUTICA AG (CH) 2003-11-13 US disclosed
WO-2003072588-A1 MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2003-09-04 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-20030212011-A1 Macrolides with antibacterial activity MRPL21, RPS21, MRPS18A HDAC1 134/4885HDAC2 596/4885HDAC6 49/4885
US-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES MMP7, MMP3, MMP9 HDAC1 137/4885HDAC2 285/4885HDAC6 113/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 HDAC1 4782/4885HDAC2 4211/4885HDAC6 2557/4885
US-20240018144-A1 Synthesis of EGFR Modulators EGFR, ERBB2, ERBB4 HDAC1 4013/4885HDAC2 4371/4885HDAC6 1745/4885

“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.