SCHEMBL12820023

SCHEMBL12820023

CC(=N)c1cc2ccccc2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.58
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51
SLC9A1 P19634 2/20 0.49
HRH4 Q9H3N8 1/20 0.47
DYRK1A Q13627 1/20 0.47
RAB9A P51151 1/20 0.46
CYP2A6 P11509 3/20 0.46
MGLL Q99685 1/20 0.46

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
SCHEMBL9622778 0.80 BCL2L1 (0.58) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL563279 0.80 F9 (0.65) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL30583137 0.80 F9 (0.65) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL407602 0.80 BCL2L1 (0.69) BCL2L1HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL9402488 0.78 F9 (0.66) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL24555320 0.77 BCL2L1 (0.55) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9233094 0.77 BCL2L1 (0.55) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL18339791 0.77 BCL2L1 (0.59) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL10400025 0.77 HDAC1 (0.66) BCL2L1HDAC3HDAC4HDAC1HDAC7
SCHEMBL9233096 0.77 BCL2L1 (0.55) BCL2L1HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200199453-A1 POLYMERISABLE LIQUID CRYSTAL MATERIAL AND POLYMERISED LIQUID CRYSTAL FILM MERCK PATENT GMBH (DE) 2020-06-25 US disclosed
US-10649124-B2 Composition including compound having mesogenic group, polymer and optically anisotropic body obtained by polymerizing polymerizable composition, and phase difference film DIC CORPORATION (JP) 2020-05-12 US disclosed
US-20190025490-A1 COMPOSITION INCLUDING COMPOUND HAVING MESOGENIC GROUP, POLYMER AND OPTICALLY ANISOTROPIC BODY OBTAINED BY POLYMERIZING POLYMERIZABLE COMPOSITION, AND PHASE DIFFERENCE FILM DIC CORPORATION (JP) 2019-01-24 US disclosed
US-20180031738-A1 RETARDATION PLATE AND CIRCULARLY POLARIZING PLATE DIC CORPORATION (JP) 2018-02-01 US disclosed
US-20180022716-A1 POLYMERIZABLE COMPOUND AND OPTICAL ISOMER DIC CORPORATION (JP) 2018-01-25 US disclosed
US-20180022716-A1 POLYMERIZABLE COMPOUND AND OPTICAL ISOMER DIC CORPORATION (JP) 2018-01-25 US disclosed
US-20180016502-A1 POLYMERIZABLE COMPOSITION AND OPTICALLY ANISOTROPIC BODY USING SAME DIC CORPORATION (JP) 2018-01-18 US disclosed
WO-2011036680-A2 IMPROVED PROCESS FOR THE PREPARATION OF (±)-1-(1-BENZO[B]THIEN-2-YLETHYL)-1-HYDROXYUREA MSN LABORATORIES LIMITED (IN) 2011-03-31 WO disclosed
WO-2010012246-A1 A PROCESS FOR THE PREPARATION OF N-(1-BENZO[B]THIEN-2-YLETHYL)-N-HYDROXYUREA FARMAK, A.S. (CZ) 2010-02-04 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 (1 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-20180022716-A1 POLYMERIZABLE COMPOUND AND OPTICAL ISOMER SMC4, MAP1LC3C, ZW10 BCL2L1 3898/4885HDAC3 2924/4885HDAC4 1957/4885

“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.