SCHEMBL13341895

SCHEMBL13341895

O=C(Cl)Cc1c(-c2ccccc2)nc2ccccn12

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
NTRK1 P04629 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
PKM P14618 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
POLB P06746 1/20 0.51
HTT P42858 1/20 0.51
GAA P10253 1/20 0.50
SLC2A1 P11166 1/20 0.50
GABRA1 P14867 1/20 0.50
GABRA5 P31644 1/20 0.50
GABRB2 P47870 1/20 0.50

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
SCHEMBL6686729 0.88 NTRK1 (0.58) NPC1RAB9ANTRK1SMN1; SMN2CYP1A2
SCHEMBL13341887 0.85 SMN1; SMN2 (0.56) NPC1RAB9ANTRK1SMN1; SMN2CYP1A2
SCHEMBL7096969 0.85 NTRK1 (0.56) NPC1RAB9ANTRK1SMN1; SMN2CYP1A2
SCHEMBL22780401 0.83 NTRK1 (0.57) NPC1RAB9ANTRK1SMN1; SMN2CYP1A2
SCHEMBL13341900 0.82 ALDH1A1 (0.61) NTRK1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL13341897 0.82 GABRB2 (0.62) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL8208 0.82 KDM4E (0.64) NPC1RAB9ASMN1; SMN2KDM4EPOLB
Hydrochloric Acid SCHEMBL1430204 0.80 NPC1 (0.61) NPC1RAB9ANTRK1SMN1; SMN2CYP1A2
SCHEMBL3613601 0.80 SLC2A2 (0.69) NTRK1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL13341899 0.79 NPC1 (0.55) NPC1RAB9ANTRK1SMN1; SMN2CYP1A2

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 4 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-7566725-B2 Imidazo[1,2-A] pyridine anxiolytics SEPRACOR INC. (US) 2009-07-28 US disclosed
US-20080096867-A1 Imidazo[1,2-A] Pyridine Anxiolytics SEPRACOR INC. (US) 2008-04-24 US disclosed
US-20070043074-A1 IMIDAZO[1,2-A] PYRIDINE ANXIOLYTICS SEPRACOR INC. (US) 2007-02-22 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-20070043074-A1 IMIDAZO[1,2-A] PYRIDINE ANXIOLYTICS CNR1, CNR2, GABRA5 NPC1 922/4885RAB9A 2233/4885NTRK1 2237/4885
US-20080096867-A1 Imidazo[1,2-A] Pyridine Anxiolytics MTNR1B, ADORA2B, ADRA2B NPC1 1038/4885RAB9A 995/4885NTRK1 2853/4885

“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.