SCHEMBL13058905

SCHEMBL13058905

CC(=O)c1cccc(Nc2nc3ccccc3[nH]2)c1

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.79
DDX3X O00571 1/20 0.57
LMNA P02545 1/20 0.56
MTOR P42345 1/20 0.54
HDAC11 Q96DB2 2/20 0.54
NPC1 O15118 8/20 0.53
RAB9A P51151 7/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
PKM P14618 2/20 0.53
MAOB P27338 1/20 0.53
ADORA2A P29274 1/20 0.53
EGFR P00533 1/20 0.53
PIK3CA P42336 1/20 0.53
MEN1 O00255 7/20 0.52
KMT2A Q03164 7/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
GRB7 Q14451 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
SCHEMBL3766427 0.88 AKR1C3 (1.00) AKR1C3DDX3XMTORHDAC11NPC1
SCHEMBL20096879 0.87 AKR1C3 (0.75) AKR1C3DDX3XLMNAHDAC11NPC1
SCHEMBL254593 0.87 AKR1C3 (0.79) AKR1C3DDX3XMTORHDAC11NPC1
SCHEMBL13002087 0.86 AKR1C3 (0.73) AKR1C3DDX3XLMNAMTORHDAC11
SCHEMBL22703577 0.86 AKR1C3 (0.73) AKR1C3DDX3XLMNAMTORHDAC11
SCHEMBL29624703 0.86 AKR1C3 (0.77) AKR1C3DDX3XHDAC11NPC1RAB9A
SCHEMBL20096686 0.86 AKR1C3 (0.77) AKR1C3DDX3XHDAC11NPC1RAB9A
SCHEMBL13058906 0.85 MEN1 (0.62) AKR1C3DDX3XLMNANPC1RAB9A
SCHEMBL32666086 0.84 MAPT (0.65) AKR1C3LMNANPC1RAB9ASMN1; SMN2
SCHEMBL18236256 0.79 AKR1C3 (0.63) AKR1C3DDX3XLMNANPC1RAB9A

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 8 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-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

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-20100310455-A1 Heterocyclic Ligands for Integrin Imaging and Therapy ITGA1, ITGAL, ITGA4 AKR1C3 4531/4885DDX3X 3524/4885LMNA 2248/4885
US-20170174722-A1 LLP2A-BISPHOSPHONATE CONJUGATES FOR OSTEOPOROSIS TREATMENT LCP1, BST2, ITGA2B AKR1C3 3922/4885DDX3X 4223/4885LMNA 1950/4885
US-20140056855-A1 LLP2A-BISPHOSPHONATE CONJUGATES FOR OSTEOPOROSIS TREATMENT LCP1, BST2, ITGA2B AKR1C3 3922/4885DDX3X 4223/4885LMNA 1950/4885

“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.