SCHEMBL5959907

SCHEMBL5959907

Clc1cccc(Cl)c1-c1nc(-c2ccccn2)n[nH]1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.69
TDP1 Q9NUW8 6/20 0.69
L3MBTL1 Q9Y468 5/20 0.69
NPC1 O15118 5/20 0.69
RAB9A P51151 4/20 0.69
ALOX15 P16050 3/20 0.69
ALPL P05186 3/20 0.69
PKM P14618 1/20 0.69
HSD17B10 Q99714 1/20 0.69
JAK2 O60674 1/20 0.60
NOTUM Q6P988 1/20 0.57
KDM4E B2RXH2 6/20 0.52
HTT P42858 5/20 0.48
TP53 P04637 4/20 0.48
LMNA P02545 4/20 0.48
GRM5 P41594 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL6454144 0.90 SMN1; SMN2 (0.60) SMN1; SMN2TDP1L3MBTL1NPC1RAB9A
SCHEMBL5959950 0.85 SMN1; SMN2 (0.69) SMN1; SMN2TDP1L3MBTL1NPC1RAB9A
SCHEMBL8311588 0.82 SMN1; SMN2 (1.00) SMN1; SMN2TDP1L3MBTL1NPC1RAB9A
SCHEMBL6449632 0.79 JAK2 (0.56) SMN1; SMN2TDP1L3MBTL1NPC1RAB9A
SCHEMBL4186276 0.78 SMN1; SMN2 (0.63) SMN1; SMN2TDP1L3MBTL1NPC1RAB9A
SCHEMBL4552315 0.77 SMN1; SMN2 (0.61) SMN1; SMN2TDP1L3MBTL1NPC1RAB9A
SCHEMBL6452334 0.77 SMN1; SMN2 (0.57) SMN1; SMN2TDP1L3MBTL1NPC1RAB9A
SCHEMBL5325012 0.76 KDM4E (0.59) SMN1; SMN2TDP1L3MBTL1NPC1RAB9A
SCHEMBL6449955 0.75 JAK2 (0.49) SMN1; SMN2TDP1L3MBTL1NPC1RAB9A
SCHEMBL18292526 0.75 L3MBTL1 (0.77) SMN1; SMN2TDP1L3MBTL1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2003-03-20 US claimed
US-7112595-B2 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. (US) 2006-09-26 US disclosed
US-20060189661-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2006-08-24 US disclosed
US-20050154027-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. 2005-07-14 US disclosed
US-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 US disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 WO disclosed
US-6660753-B2 For therapy of stroke, head trauma, anoxic injury, ischemic injury, hypoglycemia, epilepsy, pain, migraine headaches, Parkinson's disease, senile dementia, Huntington's Chorea, anxiety, and Alzheimer's disease NPS PHARMACEUTICALS, INC. 2003-12-09 US disclosed
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2003-03-20 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 (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-20050154027-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 SMN1; SMN2 1279/4885TDP1 3341/4885L3MBTL1 4123/4885
US-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC SMN1; SMN2 4633/4885TDP1 4550/4885L3MBTL1 4366/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 SMN1; SMN2 1279/4885TDP1 3341/4885L3MBTL1 4123/4885
US-20060189661-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 SMN1; SMN2 1279/4885TDP1 3341/4885L3MBTL1 4123/4885

“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.