SCHEMBL1422951

SCHEMBL1422951

Cc1ccc(-c2nnc(-c3cccnc3)o2)c(C)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.68
RAB9A P51151 8/20 0.68
TP53 P04637 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
MAPT P10636 1/20 0.64
ALDH1A1 P00352 5/20 0.56
HPGD P15428 5/20 0.56
POLB P06746 2/20 0.56
TSHR P16473 1/20 0.56
GAA P10253 1/20 0.56
KDM4E B2RXH2 6/20 0.53
HSD17B10 Q99714 4/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
KMT2A Q03164 1/20 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
SCHEMBL1422728 0.89 RAB9A (0.68) NPC1RAB9ATP53SMN1; SMN2MAPT
Trifluoroacetic Acid SCHEMBL3631975 0.88 NPC1 (0.54) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL1422426 0.87 RAB9A (0.67) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL1423233 0.84 NPC1 (0.71) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL1422974 0.82 NPC1 (0.71) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL2278530 0.82 NPC1 (1.00) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL13393530 0.81 NPC1 (0.64) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL1423301 0.80 NPC1 (0.73) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL13017311 0.80 CA1 (0.71) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL2274986 0.79 NPC1 (0.76) NPC1RAB9ATP53SMN1; SMN2MAPT

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160022658-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE ABBVIE INC (US) 2016-01-28 US claimed
EP-2974727-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE Abbvie Inc. (US) 2016-01-20 EP claimed
EP-2226074-B1 Pharmaceutical compositions and their methods of use ABBVIE INC (US) 2015-11-04 EP claimed
EP-2101763-B1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE ABBOTT LAB (US) 2012-07-18 EP claimed
EP-2226074-A2 Pharmaceutical compositions and their methods of use Abbott Laboratories (US) 2010-09-08 EP claimed
EP-2146985-A1 HETEROCYCLIC COMPOUNDS AND THEIR METHODS OF USE Abbott Laboratories (US) 2010-01-27 EP claimed
EP-2101763-A2 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE Abbott Laboratories (US) 2009-09-23 EP claimed
WO-2008127464-A1 HETEROCYCLIC COMPOUNDS AND THEIR METHODS OF USE ABBOTT LABORATORIES (US) 2008-10-23 WO claimed
US-20080255203-A1 HETEROCYCLIC COMPOUNDS AND THEIR METHODS OF USE ABBOTT LABORATORIES (US) 2008-10-16 US claimed
US-20080167286-A1 Pharmaceutical compositions and their methods of use ABBOTT LABORATORIES (US) 2008-07-10 US claimed
WO-2008073942-A2 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE ABBOTT LABORATORIES (US) 2008-06-19 WO claimed
US-20160022658-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE ABBVIE INC (US) 2016-01-28 US disclosed
EP-2974727-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE Abbvie Inc. (US) 2016-01-20 EP disclosed
US-9186407-B2 Pharmaceutical compositions and their methods of use ABBVIE INC. (US) 2015-11-17 US disclosed
EP-2226074-B1 Pharmaceutical compositions and their methods of use ABBVIE INC (US) 2015-11-04 EP disclosed
US-20080269236-A1 Novel 1,2,4 Oxadiazole Compounds and Methods of Use Thereof ABBOTT LABORATORIES (US) 2008-10-30 US disclosed
WO-2008127464-A1 HETEROCYCLIC COMPOUNDS AND THEIR METHODS OF USE ABBOTT LABORATORIES (US) 2008-10-23 WO disclosed
US-20080255203-A1 HETEROCYCLIC COMPOUNDS AND THEIR METHODS OF USE ABBOTT LABORATORIES (US) 2008-10-16 US disclosed
US-20080167286-A1 Pharmaceutical compositions and their methods of use ABBOTT LABORATORIES (US) 2008-07-10 US disclosed
WO-2008073942-A2 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE ABBOTT LABORATORIES (US) 2008-06-19 WO 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-20080255203-A1 HETEROCYCLIC COMPOUNDS AND THEIR METHODS OF USE CYP11B2, AADAC, CYP11B1 NPC1 473/4885RAB9A 3859/4885TP53 950/4885
US-20080269236-A1 Novel 1,2,4 Oxadiazole Compounds and Methods of Use Thereof OXA1L, CYP11B2, CYP1B1 NPC1 1201/4885RAB9A 4444/4885TP53 4001/4885
US-20080167286-A1 Pharmaceutical compositions and their methods of use CHRNA4, CHRNB4, CHRNA5 NPC1 1677/4885RAB9A 1978/4885TP53 4673/4885
US-20160022658-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE CHRNA4, CHRNB4, CHRNA5 NPC1 1677/4885RAB9A 1978/4885TP53 4673/4885

“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.