SCHEMBL1422426

SCHEMBL1422426

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.67
NPC1 O15118 8/20 0.67
TP53 P04637 3/20 0.55
GAA P10253 1/20 0.55
KDM4E B2RXH2 7/20 0.52
ALDH1A1 P00352 6/20 0.52
HPGD P15428 6/20 0.52
HSD17B10 Q99714 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
POLB P06746 2/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 3/20 0.51
KMT2A Q03164 1/20 0.51
HTT P42858 1/20 0.51
RECQL P46063 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
Trifluoroacetic Acid SCHEMBL3634483 0.89 NPC1 (0.54) RAB9ANPC1TP53GAAKDM4E
SCHEMBL1422951 0.87 NPC1 (0.68) RAB9ANPC1TP53GAAKDM4E
SCHEMBL1422728 0.84 RAB9A (0.68) RAB9ANPC1TP53GAAKDM4E
SCHEMBL24419411 0.84 RAB9A (0.64) RAB9ANPC1TP53GAAKDM4E
SCHEMBL14493330 0.83 CYP2A6 (0.54) RAB9ANPC1TP53KDM4EALDH1A1
SCHEMBL1422782 0.82 NPC1 (0.68) RAB9ANPC1TP53GAAKDM4E
SCHEMBL27639540 0.82 RAB9A (0.62) RAB9ANPC1TP53GAAKDM4E
SCHEMBL1422974 0.81 NPC1 (0.71) RAB9ANPC1TP53GAAKDM4E
SCHEMBL2278530 0.81 NPC1 (1.00) RAB9ANPC1TP53GAAKDM4E
Trifluoroacetic Acid SCHEMBL3631975 0.80 NPC1 (0.54) RAB9ANPC1TP53GAAKDM4E

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 35 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
CN-101715449-A Heterocyclic compounds and their methods of use ABBOTT LAB 2010-05-26 CN claimed
EP-2146985-A1 HETEROCYCLIC COMPOUNDS AND THEIR METHODS OF USE Abbott Laboratories (US) 2010-01-27 EP claimed
CN-101605542-A Pharmaceutical compositions and methods of use thereof ABBOTT LAB (US) 2009-12-16 CN 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
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 (3 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 RAB9A 3859/4885NPC1 473/4885TP53 950/4885
US-20080167286-A1 Pharmaceutical compositions and their methods of use CHRNA4, CHRNB4, CHRNA5 RAB9A 1978/4885NPC1 1677/4885TP53 4673/4885
US-20160022658-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR METHODS OF USE CHRNA4, CHRNB4, CHRNA5 RAB9A 1978/4885NPC1 1677/4885TP53 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.