SCHEMBL497750

SCHEMBL497750

CC(=O)c1cc2ccc(Br)cc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.53
CLK1 P49759 1/20 0.53
DYRK1B Q9Y463 1/20 0.53
LMNA P02545 2/20 0.51
HDAC1 Q13547 5/20 0.50
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
DHPS P49366 1/20 0.46
RAB9A P51151 4/20 0.45
NPC1 O15118 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL121775 0.86 LMNA (0.69) DYRK1ACLK1DYRK1BLMNAHDAC1
SCHEMBL30151656 0.84 BCL2L1 (0.59) LMNAHDAC1HDAC3HDAC4HDAC7
SCHEMBL498133 0.84 BCL2L1 (0.59) LMNAHDAC1HDAC3HDAC4HDAC7
SCHEMBL19964559 0.82 PIM1 (0.54) DYRK1ADYRK1BLMNAHDAC1HDAC3
SCHEMBL22479260 0.82 LMNA (0.47) DYRK1ALMNAHDAC1HDAC3HDAC4
SCHEMBL29445391 0.81 HDAC1 (0.60) DYRK1ACLK1LMNAHDAC1HDAC3
SCHEMBL497904 0.81 HDAC1 (0.60) DYRK1ACLK1LMNAHDAC1HDAC3
SCHEMBL15961987 0.80 DYRK1A (0.74) DYRK1ACLK1DYRK1BHDAC1HDAC3
SCHEMBL28901904 0.79 HDAC1 (0.47) DYRK1ACLK1LMNAHDAC1HDAC3
SCHEMBL8905597 0.79 DYRK1A (0.53) DYRK1ACLK1DYRK1BHDAC1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-8106077-B2 Compounds and methods for modulating FXR ELI LILLY AND COMPANY (US) 2012-01-31 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
EP-2351743-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-08-03 EP disclosed
US-7846960-B2 FXR agonists ELI LILLY AND COMPANY (US) 2010-12-07 US disclosed
EP-2029547-B1 FXR AGONISTS LILLY CO ELI (US) 2010-04-28 EP disclosed
EP-2029558-B1 COMPOUNDS AND METHODS FOR MODULATING FXR LILLY CO ELI (US) 2010-03-10 EP disclosed
US-20090270460-A1 FXR AGONISTS JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-10-29 US disclosed
US-20090093524-A1 COMPOUNDS AND METHODS FOR MODULATING FXR JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-04-09 US disclosed
EP-2029547-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2009-03-04 EP disclosed
EP-2029558-A2 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2009-03-04 EP disclosed
WO-2007140183-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2007-12-06 WO disclosed
WO-2007140174-A2 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2007-12-06 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 (3 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-20120010247-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB DYRK1A 4791/4885CLK1 1651/4885DYRK1B 4819/4885
US-20090270460-A1 FXR AGONISTS NR1H4, SLC10A1, GPBAR1 DYRK1A 4097/4885CLK1 4409/4885DYRK1B 3997/4885
US-20090093524-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NR1H4, SLC10A1, FXR1 DYRK1A 4419/4885CLK1 3923/4885DYRK1B 4198/4885

“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.