SCHEMBL5848405

SCHEMBL5848405

CCCCCc1cncc(Br)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
PTGS2 P35354 3/20 0.42
CYP3A4 P08684 1/20 0.42
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
HTT P42858 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
GPR84 Q9NQS5 1/20 0.38

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
SCHEMBL188469 0.94 SMN1; SMN2 (0.44) L3MBTL1TDP1POLBSMN1; SMN2MAPT
SCHEMBL17048233 0.86 HTT (0.42) L3MBTL1POLBSMN1; SMN2MAPTRAB9A
SCHEMBL27733869 0.86 TDP1 (0.59) L3MBTL1TDP1PTGS2CYP3A4GPR84
Hydrochloric Acid SCHEMBL28015977 0.84 TDP1 (0.57) L3MBTL1TDP1PTGS2CYP3A4SMN1; SMN2
SCHEMBL27563659 0.84 TDP1 (0.57) L3MBTL1TDP1PTGS2CYP3A4SMN1; SMN2
SCHEMBL1419853 0.81 HRH1 (0.49)
SCHEMBL28307287 0.79 TDP1 (0.49) L3MBTL1TDP1PTGS2CYP3A4GPR84
SCHEMBL10807925 0.79 TDP1 (0.50) L3MBTL1TDP1PTGS2CYP3A4POLB
SCHEMBL19909213 0.78 TDP1 (0.52) L3MBTL1TDP1PTGS2CYP3A4POLB
SCHEMBL197194 0.78 TDP1 (0.52) L3MBTL1TDP1PTGS2CYP3A4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170305883-A1 Compositions and Methods for Inhibiting BMP NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2017-10-26 US disclosed
US-20170190705-A1 Compositions and Methods for Inhibiting BMP NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-07-06 US disclosed
EP-3122355-A1 COMPOSITIONS AND METHODS FOR INHIBITING BMP The Brigham and Women's Hospital, Inc. (US) 2017-02-01 EP disclosed
WO-2015148654-A1 COMPOSITIONS AND METHODS FOR INHIBITING BMP THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2015-10-01 WO disclosed
US-7101896-B2 Pharmaceutical compositions and methods for use TARGACEPT, INC. (US) 2006-09-05 US disclosed
US-7022706-B2 Pharmaceutical compositions and methods for use TARGACEPT, INC. (US) 2006-04-04 US disclosed
US-20050267111-A1 Pharmaceutical compositions and methods for use DULL GARY M 2005-12-01 US disclosed
US-6890935-B2 Pharmaceutical compositions and methods for use TARGACEPT, INC. (US) 2005-05-10 US disclosed
US-20040152723-A1 Pharmaceutical compositions and methods for use CLARK THOMAS JEFFREY (US) 2004-08-05 US disclosed
US-6624167-B1 Compounds that are capable of affecting nicotinic cholinergic receptors. A wide variety of conditions and disorders, and particularly conditions and disorders associated with dysfunction of the central and autonomic nervous systems can TARGACEPT, INC. 2003-09-23 US disclosed
EP-1305316-A2 AZABICYCLIC DERIVATIVES AND THEIR THERAPEUTIC USE Targacept, Inc. (US) 2003-05-02 EP disclosed
EP-0984966-B1 9-AZABICYCLO(3.3.1)NON-2-ENE AND NONANE DERIVATIVES AS CHOLINERGIC LIGANDS AT NICOTINIC ACh RECEPTORS NEUROSEARCH AS (DK) 2003-01-29 EP disclosed
WO-2002088114-A2 HETEROARYL OFEFINIC AZACYCLIC AND HETEROARYL ACETYLENIC AZACYCLIC COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS TARGACEPT, INC. (US) 2002-11-07 WO disclosed
WO-2002004442-A9 AZABICYCLIC COMPOUNDS AS INHIBITORS OF NICOTINIC CHOLINERGIC RECEPTORS TARGACEPT INC (US) 2002-06-13 WO disclosed
US-6392045-B1 9-azobicyclo[3.3.1] non-2-ene derivatives as cholinergic ligands at nicotinic ACH receptors NEUROSEARCH A/S (DK) 2002-05-21 US disclosed
US-20020058652-A1 Pharmaceutical compositions and methods for use TARGACEPT, INC. 2002-05-16 US disclosed
WO-2002012245-A2 AZABICYCLIC DERIVATIVES AND THEIR THERAPEUTIC USE TARGACEPT, INC. (US) 2002-02-14 WO disclosed
WO-2002004442-A2 AZABICYCLIC COMPOUNDS AS INHIBITORS OF NICOTINIC CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2002-01-17 WO disclosed
EP-0984966-A1 9-AZABICYCLO(3.3.1)NON-2-ENE AND NONANE DERIVATIVES AS CHOLINERGIC LIGANDS AT NICOTINIC ACh RECEPTORS NEUROSEARCH A/S (DK) 2000-03-15 EP disclosed
WO-1998054182-A1 9-AZABICYCLO(3.3.1)NON-2-ENE AND NONANE DERIVATIVES AS CHOLINERGIC LIGANDS AT NICOTINIC ACh RECEPTORS NEUROSEARCH A/S (DK) 1998-12-03 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 (5 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-20050267111-A1 Pharmaceutical compositions and methods for use CYP3A7, AADAC, CYP2B6 L3MBTL1 4882/4885TDP1 2098/4885PTGS2 853/4885
US-20020058652-A1 Pharmaceutical compositions and methods for use CYP3A7, AADAC, CYP2B6 L3MBTL1 4882/4885TDP1 2098/4885PTGS2 853/4885
US-20170305883-A1 Compositions and Methods for Inhibiting BMP BMP1, BMP2, BMPR2 L3MBTL1 1095/4885TDP1 4297/4885PTGS2 1700/4885
US-20040152723-A1 Pharmaceutical compositions and methods for use CHRNA7, CHRNA10, CHRNG L3MBTL1 4828/4885TDP1 867/4885PTGS2 3163/4885
US-20170190705-A1 Compositions and Methods for Inhibiting BMP BMP1, BMP2, BMPR2 L3MBTL1 1117/4885TDP1 4274/4885PTGS2 1746/4885

“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.