SCHEMBL6453757

SCHEMBL6453757

Cc1ccccc1-c1nnc(-c2cccs2)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 15/20 1.00
SMN1; SMN2 Q16637 13/20 1.00
ALDH1A1 P00352 13/20 1.00
KDM4E B2RXH2 13/20 1.00
NPC1 O15118 13/20 0.68
CASP3 P42574 3/20 0.68
SENP7 Q9BQF6 3/20 0.68
SENP8 Q96LD8 2/20 0.68
SENP6 Q9GZR1 2/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
NFKB1 P19838 2/20 0.60
NFKB2 Q00653 2/20 0.60
RELA Q04206 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
MAPK1 P28482 2/20 0.60
HPGD P15428 9/20 0.58
TSHR P16473 3/20 0.58
HSD17B10 Q99714 6/20 0.53
MAPT P10636 4/20 0.52
GAA P10253 3/20 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
SCHEMBL13762461 0.82 KDM4E (0.70) RAB9ASMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL7756394 0.82 RAB9A (1.00) RAB9ASMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL6454156 0.81 KDM4E (0.68) RAB9ASMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL6452415 0.81 RAB9A (0.68) RAB9ASMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL6448674 0.80 ALDH1A1 (0.67) RAB9ASMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL27619542 0.79 KDM4E (0.66) RAB9ASMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL7058937 0.79 KDM4E (0.67) RAB9ASMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL13930803 0.78 KDM4E (0.64) RAB9ASMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL10034982 0.77 RAB9A (0.80) RAB9ASMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL3626478 0.77 RAB9A (0.61) RAB9ASMN1; SMN2ALDH1A1KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10827753-B2 Compositions and methods for controlling nematodes MONSANTO TECHNOLOGY LLC (US) 2020-11-10 US disclosed
US-20190343120-A1 COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODES MONSANTO TECHNOLOGY LLC (US) 2019-11-14 US disclosed
US-20190327967-A1 COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODES MONSANTO TECHNOLOGY LLC (US) 2019-10-31 US disclosed
US-10375958-B2 Compositions and methods for controlling nematodes MONSANTO TECHNOLOGY LLC (US) 2019-08-13 US disclosed
US-20190021325-A1 COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODES MONSANTO TECHNOLOGY LLC (US) 2019-01-24 US disclosed
US-20170367338-A1 COMPOSITIONS AND METHODS FOR IMPROVING AGRONOMIC CHARACTERISTICS OF PLANTS MONSANTO TECHNOLOGY LLC (US) 2017-12-28 US disclosed
EP-2786993-B1 COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODES MONSANTO TECHNOLOGY LLC (US) 2017-11-15 EP disclosed
US-20170152247-A1 COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODES MONSANTO TECHNOLOGY LLC (US) 2017-06-01 US disclosed
US-20170152247-A1 COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODES MONSANTO TECHNOLOGY LLC (US) 2017-06-01 US disclosed
US-9642364-B2 Compositions and methods for controlling nematodes MONSANTO TECHNOLOGY LLC (US) 2017-05-09 US disclosed
EP-2786994-A1 Compositions and methods for controlling nematodes Monsanto Technology LLC (US) 2014-10-08 EP disclosed
US-20130296166-A1 COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODES DIVERGENCE, INC. 2013-11-07 US disclosed
US-20130296166-A1 COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODES DIVERGENCE, INC. 2013-11-07 US disclosed
US-8435999-B2 Compositions and methods for controlling nematodes MONSANTO TECHNOLOGY LLC (US) 2013-05-07 US disclosed
US-8435999-B2 Compositions and methods for controlling nematodes MONSANTO TECHNOLOGY LLC (US) 2013-05-07 US disclosed
WO-2009023721-A1 COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODES DIVERGENCE, INC. (US) 2009-02-19 WO disclosed
US-20090048311-A1 Compostions and Methods for Controlling Nematodes MONSANTO TECHNOLOGY LLC 2009-02-19 US disclosed
US-20090048311-A1 Compostions and Methods for Controlling Nematodes MONSANTO TECHNOLOGY LLC 2009-02-19 US disclosed
US-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 US disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 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 (10 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-20170152247-A1 COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODES NOP2, ATL3, CYCS RAB9A 3412/4885SMN1; SMN2 913/4885ALDH1A1 3430/4885
US-10827753-B2 Compositions and methods for controlling nematodes NOP2, ATL3, CYCS RAB9A 3412/4885SMN1; SMN2 913/4885ALDH1A1 3430/4885
US-20190021325-A1 COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODES NOP2, ATL3, CYCS RAB9A 3412/4885SMN1; SMN2 913/4885ALDH1A1 3430/4885
US-20130296166-A1 COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODES ATL3, NOP2, PTMS RAB9A 3486/4885SMN1; SMN2 1232/4885ALDH1A1 3529/4885
US-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC RAB9A 2483/4885SMN1; SMN2 4633/4885ALDH1A1 287/4885
US-20190343120-A1 COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODES NOP2, ATL3, CYCS RAB9A 3412/4885SMN1; SMN2 913/4885ALDH1A1 3430/4885
US-20170367338-A1 COMPOSITIONS AND METHODS FOR IMPROVING AGRONOMIC CHARACTERISTICS OF PLANTS CYP51A1, MT-CO3, ACOX3 RAB9A 3594/4885SMN1; SMN2 4270/4885ALDH1A1 1344/4885
US-20090048311-A1 Compostions and Methods for Controlling Nematodes NOP2, MT-CO3, CLPX RAB9A 4578/4885SMN1; SMN2 1840/4885ALDH1A1 2842/4885
US-10375958-B2 Compositions and methods for controlling nematodes NOP2, ATL3, CYCS RAB9A 3412/4885SMN1; SMN2 913/4885ALDH1A1 3430/4885
US-20190327967-A1 COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODES NOP2, ATL3, CYCS RAB9A 3412/4885SMN1; SMN2 913/4885ALDH1A1 3430/4885

“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.