SCHEMBL13368337

SCHEMBL13368337

O=CCc1c(-c2ccc(Cl)cc2)nc2ccccn12

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.64
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
POLB P06746 1/20 0.64
HTT P42858 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
GABRA1 P14867 1/20 0.58
GABRA5 P31644 1/20 0.58
GABRB2 P47870 1/20 0.58
GAA P10253 1/20 0.58
SLC2A1 P11166 1/20 0.58
KCNK3 O14649 10/20 0.52
KCNK9 Q9NPC2 10/20 0.52

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
SCHEMBL13341898 0.89 NPC1 (0.54) KDM4ENPC1RAB9APOLBHTT
SCHEMBL5566700 0.86 ALDH1A1 (0.65) KDM4ENPC1RAB9APOLBHTT
SCHEMBL13368336 0.83 ALDH1A1 (0.63) KDM4EHTTGABRB2SLC2A1
Hydrochloric Acid SCHEMBL1430093 0.82 KDM4E (0.69) KDM4ENPC1RAB9APOLBHTT
SCHEMBL1691661 0.82 KDM4E (0.69) KDM4ENPC1RAB9APOLBHTT
SCHEMBL1431043 0.82 KDM4E (0.69) KDM4ENPC1RAB9APOLBHTT
SCHEMBL8208 0.81 KDM4E (0.64) KDM4ENPC1RAB9APOLBHTT
SCHEMBL18963197 0.79 KDM4E (0.75) KDM4EGAASLC2A1KCNK3KCNK9
SCHEMBL1430465 0.79 NPC1 (0.74) KDM4ENPC1RAB9APOLBHTT
SCHEMBL1430221 0.78 KDM4E (0.67) KDM4ENPC1RAB9APOLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723324-B2 Imidazo[1,2-A]pyridine anxiolytics SEPRACOR, INC. (US) 2010-05-25 US disclosed
US-20080096867-A1 Imidazo[1,2-A] Pyridine Anxiolytics SEPRACOR INC. (US) 2008-04-24 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 (1 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-20080096867-A1 Imidazo[1,2-A] Pyridine Anxiolytics MTNR1B, ADORA2B, ADRA2B KDM4E 796/4885NPC1 1038/4885RAB9A 995/4885

“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.