SCHEMBL3663992

SCHEMBL3663992

Clc1nc2ccc(Cl)c(Cl)c2s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 3/20 0.34
MEN1 O00255 2/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
PSMB8 P28062 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
CYP2A6 P11509 1/20 0.31
ALOX15 P16050 1/20 0.31
CDK5 Q00535 2/20 0.31
AURKA O14965 1/20 0.31
DAPK3 O43293 1/20 0.31

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
SCHEMBL2069631 0.79 SMN1; SMN2 (0.55) ALDH1A1SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL3653658 0.79 SMN1; SMN2 (0.33) SMN1; SMN2KMT2ALMNAMEN1POLB
SCHEMBL20969585 0.79 ACACB (0.36) ALDH1A1SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL2171030 0.79 RAB9A (0.46) ALDH1A1SMN1; SMN2MAPTTDP1NPC1
SCHEMBL8693683 0.79 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2KMT2ALMNAMEN1
Nitrogen SCHEMBL27684817 0.76 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL1851438 0.74 PSMB8 (0.59) ALDH1A1SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL5149470 0.72 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL20969710 0.71 ACACB (0.36) ALDH1A1KMT2ACDK5CCNE1CDK2
SCHEMBL8410729 0.69 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2KMT2ALMNAMAPT

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-20170247393-A1 Aminoisoxazoline Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors FORUM PHARMACEUTICALS, INC. 2017-08-31 US disclosed
US-20170247393-A1 Aminoisoxazoline Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors FORUM PHARMACEUTICALS, INC. 2017-08-31 US disclosed
US-20170247393-A1 Aminoisoxazoline Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors FORUM PHARMACEUTICALS, INC. 2017-08-31 US disclosed
WO-2017069980-A1 AMINOISOXAZOLINE COMPOUNDS AS AGONISTS OF ALPHA7-NICOTINIC ACETYLCHOLINE RECEPTORS FORUM PHARMACEUTICALS, INC. (US) 2017-04-27 WO disclosed
US-7897627-B2 Heteroaryl derivatives as orexin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-03-01 US disclosed
US-7897627-B2 Heteroaryl derivatives as orexin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-03-01 US disclosed
US-7897627-B2 Heteroaryl derivatives as orexin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-03-01 US disclosed
EP-2234999-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2010-10-06 EP disclosed
WO-2009080533-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-07-02 WO disclosed
WO-2009080533-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-07-02 WO disclosed
US-20090163485-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 US disclosed
US-20090163485-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 US disclosed
US-20090163485-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 US 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 (2 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-20170247393-A1 Aminoisoxazoline Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors CHRNA7, CHRNA5, CHRNA2 ALDH1A1 2907/4885SMN1; SMN2 696/4885KMT2A 1435/4885
US-20090163485-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, MTNR1A ALDH1A1 1037/4885SMN1; SMN2 2577/4885KMT2A 889/4885

“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.