SCHEMBL4846237

SCHEMBL4846237

CC(=O)c1ccc(Nc2nc3ccccc3s2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.67
NPC1 O15118 10/20 0.67
SMN1; SMN2 Q16637 6/20 0.67
MEN1 O00255 6/20 0.67
KMT2A Q03164 6/20 0.67
MAPT P10636 4/20 0.67
CASP3 P42574 1/20 0.65
SENP8 Q96LD8 1/20 0.65
SENP7 Q9BQF6 1/20 0.65
SENP6 Q9GZR1 1/20 0.65
NFKB1 P19838 3/20 0.62
NFKB2 Q00653 3/20 0.62
RELA Q04206 3/20 0.62
POLB P06746 1/20 0.62
RXFP1 Q9HBX9 1/20 0.60
ADORA1 P30542 1/20 0.60
DYRK1A Q13627 1/20 0.60
ALDH1A1 P00352 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59

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
SCHEMBL1820638 0.87 NPC1 (0.71) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL1822209 0.87 NPC1 (0.67) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL1821539 0.86 PDE10A (0.67) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL11993580 0.85 NPC1 (0.75) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL13002093 0.85 NPC1 (0.62) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4985615 0.83 NPC1 (0.59) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL13059493 0.82 NPC1 (0.62) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL1821938 0.82 NPC1 (0.69) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4981777 0.82 RAB9A (0.62) RAB9ANPC1SMN1; SMN2MEN1KMT2A
Methyl Alcohol SCHEMBL27866819 0.82 NPC1 (0.90) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3453711-B1 LLP2A- BISPHOSPHONATE CONJUGATES FOR OSTEOPOROSIS TREATMENT UNIV CALIFORNIA (US) 2021-08-18 EP disclosed
EP-3453711-A1 LLP2A- BISPHOSPHONATE CONJUGATES FOR OSTEOPOROSIS TREATMENT The Regents of the University of California (US) 2019-03-13 EP disclosed
EP-2753626-B1 LLP2A-BISPHOSPHONATE CONJUGATES FOR OSTEOPOROSIS TREATMENT UNIV CALIFORNIA (US) 2018-08-08 EP 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-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
US-20100310455-A1 Heterocyclic Ligands for Integrin Imaging and Therapy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-12-09 US disclosed
US-7390907-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-06-24 US disclosed
US-20050153984-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-07-14 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 (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-20100310455-A1 Heterocyclic Ligands for Integrin Imaging and Therapy ITGA1, ITGAL, ITGA4 RAB9A 1592/4885NPC1 3565/4885SMN1; SMN2 2082/4885
US-20170174722-A1 LLP2A-BISPHOSPHONATE CONJUGATES FOR OSTEOPOROSIS TREATMENT LCP1, BST2, ITGA2B RAB9A 1116/4885NPC1 3939/4885SMN1; SMN2 2990/4885
US-20140056855-A1 LLP2A-BISPHOSPHONATE CONJUGATES FOR OSTEOPOROSIS TREATMENT LCP1, BST2, ITGA2B RAB9A 1116/4885NPC1 3939/4885SMN1; SMN2 2990/4885
US-20050153984-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 RAB9A 1396/4885NPC1 2938/4885SMN1; SMN2 2664/4885

“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.