SCHEMBL5959908

SCHEMBL5959908

Clc1ccc(-c2nc(-c3ccncc3)no2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.72
NPC1 O15118 13/20 0.72
SMN1; SMN2 Q16637 5/20 0.70
MAPT P10636 4/20 0.70
NR1H4 Q96RI1 1/20 0.70
NFKB1 P19838 1/20 0.70
NFKB2 Q00653 1/20 0.70
RELA Q04206 1/20 0.70
HSD17B10 Q99714 1/20 0.70
MEN1 O00255 1/20 0.70
KMT2A Q03164 1/20 0.70
DUSP3 P51452 1/20 0.65
PTPN11 Q06124 1/20 0.65
LMNA P02545 2/20 0.64
TP53 P04637 2/20 0.64
HPGD P15428 1/20 0.64
TSHR P16473 1/20 0.64
HTT P42858 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
ALDH1A1 P00352 1/20 0.64

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
SCHEMBL5959967 0.89 SMN1; SMN2 (0.85) RAB9ANPC1SMN1; SMN2MAPTNR1H4
SCHEMBL28651531 0.84 NR1H4 (0.78) RAB9ANPC1SMN1; SMN2MAPTNR1H4
SCHEMBL28637707 0.84 NR1H4 (0.78) RAB9ANPC1SMN1; SMN2MAPTNR1H4
SCHEMBL27001834 0.82 NR1H4 (0.70) RAB9ANPC1SMN1; SMN2MAPTNR1H4
SCHEMBL26095552 0.82 NR1H4 (0.70) RAB9ANPC1SMN1; SMN2MAPTNR1H4
SCHEMBL27001784 0.82 NPC1 (0.72) RAB9ANPC1SMN1; SMN2MAPTNFKB1
SCHEMBL3736895 0.82 NPC1 (0.72) RAB9ANPC1SMN1; SMN2MAPTNFKB1
SCHEMBL3737008 0.81 SMN1; SMN2 (1.00) RAB9ANPC1SMN1; SMN2MAPTNR1H4
SCHEMBL10495613 0.80 NR1H4 (0.77) RAB9ANPC1SMN1; SMN2MAPTNR1H4
SCHEMBL3745631 0.80 SMN1; SMN2 (0.66) RAB9ANPC1SMN1; SMN2MAPTNFKB1

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-20100010001-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-01-14 US disclosed
US-20100010001-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-01-14 US disclosed
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-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 RAB9A 1813/4885NPC1 941/4885SMN1; SMN2 1279/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 RAB9A 1813/4885NPC1 941/4885SMN1; SMN2 1279/4885
US-20060189661-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 RAB9A 1813/4885NPC1 941/4885SMN1; SMN2 1279/4885
US-20100010001-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR4 RAB9A 2501/4885NPC1 1399/4885SMN1; SMN2 2214/4885

“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.