SCHEMBL19004867

SCHEMBL19004867

CCC(=O)Cc1ccc(Nc2nc3ccccc3[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 3/20 0.54
MAPK1 P28482 1/20 0.54
HSD17B10 Q99714 1/20 0.54
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
PKM P14618 2/20 0.53
KLF5 Q13887 1/20 0.53
KDM4E B2RXH2 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
DDX3X O00571 1/20 0.52
AKR1C3 P42330 1/20 0.51
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
SPHK2 Q9NRA0 1/20 0.47
SPHK1 Q9NYA1 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGAV P06756 1/20 0.47
CYP3A4 P08684 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
SCHEMBL19004803 0.88 NPC1 (0.55) MEN1KMT2AALDH1A1MAPK1HSD17B10
SCHEMBL13058943 0.87 MEN1 (0.58) MEN1KMT2AALDH1A1MAPK1HSD17B10
SCHEMBL3771108 0.86 ALDH1A1 (0.61) MEN1KMT2AALDH1A1MAPK1HSD17B10
SCHEMBL8219447 0.85 MEN1 (0.58) MEN1KMT2AALDH1A1MAPK1HSD17B10
SCHEMBL13002099 0.84 MEN1 (0.54) MEN1KMT2AALDH1A1MAPK1HSD17B10
SCHEMBL18473152 0.82 MEN1 (0.58) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL19004868 0.82 HPSE (0.46) ALDH1A1HSD17B10NPC1RAB9AKDM4E
SCHEMBL13058857 0.80 NPC1 (0.57) MEN1KMT2AALDH1A1MAPK1HSD17B10
SCHEMBL26299109 0.80 MEN1 (0.69) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL3759049 0.79 ITGB3 (0.58) MEN1KMT2AALDH1A1MAPK1HSD17B10

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20170174722-A1 LLP2A-BISPHOSPHONATE CONJUGATES FOR OSTEOPOROSIS TREATMENT LCP1, BST2, ITGA2B MEN1 1824/4885KMT2A 950/4885ALDH1A1 1061/4885
US-20200369723-A1 LLP2A-BISPHOSPHONATE CONJUGATES FOR OSTEOPOROSIS TREATMENT LCP1, BST2, ITGA2B MEN1 1824/4885KMT2A 950/4885ALDH1A1 1061/4885

“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.