SCHEMBL8224952

SCHEMBL8224952

CC(C)C(=O)CCc1ccc(Nc2nc3ccccc3[nH]2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 2/20 0.49
DDX3X O00571 1/20 0.49
AKR1C3 P42330 1/20 0.48
ITGB3 P05106 2/20 0.48
ITGAV P06756 2/20 0.48
PKM P14618 1/20 0.47
KLF5 Q13887 1/20 0.47
LMNA P02545 2/20 0.47
AURKA O14965 1/20 0.47
AURKB Q96GD4 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
NTRK1 P04629 1/20 0.47

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
SCHEMBL13002099 0.88 MEN1 (0.54) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL13058857 0.87 NPC1 (0.57) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL3759049 0.85 ITGB3 (0.58) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL19004803 0.85 NPC1 (0.55) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL22703572 0.84 NPC1 (0.54) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL26299109 0.82 MEN1 (0.69) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL13002089 0.79 MEN1 (0.58) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL13058943 0.79 MEN1 (0.58) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL21767293 0.78 BCHE (0.58) NPC1RAB9ASMN1; SMN2HTTPKM
SCHEMBL3771108 0.78 ALDH1A1 (0.61) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200369723-A1 LLP2A-BISPHOSPHONATE CONJUGATES FOR OSTEOPOROSIS TREATMENT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-11-26 US disclosed
US-20170174722-A1 LLP2A-BISPHOSPHONATE CONJUGATES FOR OSTEOPOROSIS TREATMENT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-06-22 US disclosed
US-20170174722-A1 LLP2A-BISPHOSPHONATE CONJUGATES FOR OSTEOPOROSIS TREATMENT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-06-22 US disclosed
US-9561256-B2 LLP2A-bisphosphonate conjugates for osteoporosis treatment THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-02-07 US disclosed
US-9561256-B2 LLP2A-bisphosphonate conjugates for osteoporosis treatment THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-02-07 US disclosed
US-20160074461-A1 LLP2A-BISPHOSPHONATE CONJUGATES FOR OSTEOPOROSIS TREATMENT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2016-03-17 US disclosed
US-9119884-B2 LLP2A-bisphosphonate conjugates for osteoporosis treatment THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-09-01 US disclosed
US-20140056855-A1 LLP2A-BISPHOSPHONATE CONJUGATES FOR OSTEOPOROSIS TREATMENT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-27 US disclosed
US-8486370-B2 Heterocyclic ligands for integrin imaging and therapy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-07-16 US disclosed
WO-2013032527-A1 LLP2A-BISPHOSPHONATE CONJUGATES FOR OSTEOPOROSIS TREATMENT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-03-07 WO disclosed
US-20100310455-A1 Heterocyclic Ligands for Integrin Imaging and Therapy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-12-09 US disclosed
WO-2008031016-A2 HETEROCYCLIC LIGANDS FOR INTEGRIN IMAGING AND THERAPY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-03-13 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 (5 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-20100310455-A1 Heterocyclic Ligands for Integrin Imaging and Therapy ITGA1, ITGAL, ITGA4 NPC1 3565/4885RAB9A 1592/4885MEN1 1052/4885
US-20170174722-A1 LLP2A-BISPHOSPHONATE CONJUGATES FOR OSTEOPOROSIS TREATMENT LCP1, BST2, ITGA2B NPC1 3939/4885RAB9A 1116/4885MEN1 1824/4885
US-20200369723-A1 LLP2A-BISPHOSPHONATE CONJUGATES FOR OSTEOPOROSIS TREATMENT LCP1, BST2, ITGA2B NPC1 3939/4885RAB9A 1116/4885MEN1 1824/4885
US-20140056855-A1 LLP2A-BISPHOSPHONATE CONJUGATES FOR OSTEOPOROSIS TREATMENT LCP1, BST2, ITGA2B NPC1 3939/4885RAB9A 1116/4885MEN1 1824/4885
US-20160074461-A1 LLP2A-BISPHOSPHONATE CONJUGATES FOR OSTEOPOROSIS TREATMENT LCP1, BST2, ITGA2B NPC1 3939/4885RAB9A 1116/4885MEN1 1824/4885

“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.