SCHEMBL19004803

SCHEMBL19004803

CCC(=O)CCc1ccc(Nc2nc3ccccc3[nH]2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
PKM P14618 1/20 0.51
KLF5 Q13887 1/20 0.51
DDX3X O00571 1/20 0.50
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
AKR1C3 P42330 1/20 0.49
SPHK2 Q9NRA0 1/20 0.48
SPHK1 Q9NYA1 1/20 0.48
LMNA P02545 1/20 0.48
AURKA O14965 1/20 0.48
AURKB Q96GD4 1/20 0.48
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
SCHEMBL13058857 0.88 NPC1 (0.57) NPC1RAB9AMEN1KMT2APKM
SCHEMBL19004867 0.88 MEN1 (0.56) NPC1RAB9AMEN1KMT2APKM
SCHEMBL3759049 0.86 ITGB3 (0.58) NPC1RAB9AMEN1KMT2APKM
SCHEMBL22703572 0.85 NPC1 (0.54) NPC1RAB9AMEN1KMT2APKM
SCHEMBL8224952 0.85 NPC1 (0.54) NPC1RAB9AMEN1KMT2APKM
SCHEMBL26299109 0.83 MEN1 (0.69) NPC1RAB9AMEN1KMT2ADDX3X
SCHEMBL13058943 0.80 MEN1 (0.58) NPC1RAB9AMEN1KMT2APKM
SCHEMBL18473152 0.80 MEN1 (0.58) NPC1RAB9AMEN1KMT2APKM
SCHEMBL3771108 0.79 ALDH1A1 (0.61) NPC1RAB9AMEN1KMT2APKM
SCHEMBL8219447 0.78 MEN1 (0.58) NPC1RAB9AMEN1KMT2APKM

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 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

“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.