SCHEMBL3678631

SCHEMBL3678631

Clc1ccc(-c2nc(-c3ccc4nccn4c3)no2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 1/20 0.48
HDAC1 Q13547 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC8 Q9BY41 1/20 0.47
CASP3 P42574 1/20 0.46
DYRK1A Q13627 2/20 0.43
ALOX5AP P20292 1/20 0.43
CPT2 P23786 1/20 0.39
CPT1A P50416 1/20 0.39
CPT1B Q92523 1/20 0.39
PKM P14618 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA5 P30532 1/20 0.38
CHRNA4 P43681 1/20 0.38
HDAC5 Q9UQL6 1/20 0.37

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
SCHEMBL1422698 0.85 HDAC1 (0.49) HDAC1HDAC6HDAC8DYRK1AALOX5AP
SCHEMBL1422810 0.82 CHRNB2 (0.61) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL1422635 0.80 HDAC1 (0.45) NPC1RAB9ASMN1; SMN2MAPTHDAC1
SCHEMBL1423975 0.72 CHRNB2 (0.74) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL1422469 0.72 CHRNB2 (0.74) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL18292543 0.72 NPC1 (0.62) NPC1RAB9ASMN1; SMN2MAPTCASP3
SCHEMBL12797809 0.69 NAPRT (0.54) NPC1RAB9ASMN1; SMN2MAPTCASP3
SCHEMBL66168 0.68 RAB9A (0.71) NPC1RAB9ASMN1; SMN2MAPTCASP3
SCHEMBL16973677 0.68 ACHE (0.54) NPC1RAB9ASMN1; SMN2MAPTCASP3
SCHEMBL14826052 0.67 DYRK1A (0.85) DYRK1APIK3CATGFBR1AXLFLT3

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-9040568-B2 Pharmaceutical compositions for the treatment of pain ABBVIE INC. (US) 2015-05-26 US claimed
WO-2010138600-A2 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN ABBOTT LABORATORIES (US) 2010-12-02 WO claimed
US-20100305086-A1 Pharmaceutical Compositions for the Treatment of Pain ABBOTT LABORATORIES (US) 2010-12-02 US claimed
US-20080269236-A1 Novel 1,2,4 Oxadiazole Compounds and Methods of Use Thereof ABBOTT LABORATORIES (US) 2008-10-30 US claimed
US-9040568-B2 Pharmaceutical compositions for the treatment of pain ABBVIE INC. (US) 2015-05-26 US disclosed
US-8486979-B2 Analgesics; central nervous system disorders; attentiondeficit disorders;cognition activators; bipolar disorders; Alzheimer's disease; Down's syndrome; brain disorders ABBVIE INC. (US) 2013-07-16 US disclosed
US-20100305086-A1 Pharmaceutical Compositions for the Treatment of Pain ABBOTT LABORATORIES (US) 2010-12-02 US disclosed
US-20080269236-A1 Novel 1,2,4 Oxadiazole Compounds and Methods of Use Thereof ABBOTT LABORATORIES (US) 2008-10-30 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-20100305086-A1 Pharmaceutical Compositions for the Treatment of Pain CHRNA1, CHRNG, CHRNA4 NPC1 2912/4885RAB9A 2342/4885SMN1; SMN2 1623/4885
US-20080269236-A1 Novel 1,2,4 Oxadiazole Compounds and Methods of Use Thereof OXA1L, CYP11B2, CYP1B1 NPC1 1201/4885RAB9A 4444/4885SMN1; SMN2 2521/4885

“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.