SCHEMBL19004868

SCHEMBL19004868

CCC(=O)Cc1ccc(Nc2nc3c(C)cccc3[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 3/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 2/20 0.45
TP53 P04637 2/20 0.45
HPGD P15428 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TDP1 Q9NUW8 1/20 0.42
CRHR1 P34998 2/20 0.42
MAPT P10636 1/20 0.41
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
MMP8 P22894 2/20 0.39
MGAM O43451 2/20 0.39
GAA P10253 2/20 0.39
SI P14410 2/20 0.39
MGAM2 Q2M2H8 2/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.38

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
SCHEMBL3758929 0.88 ALDH1A1 (0.49) HPSEALDH1A1KDM4ENPC1TP53
SCHEMBL13058944 0.88 ALDH1A1 (0.49) HPSEALDH1A1KDM4ENPC1TP53
SCHEMBL8224155 0.87 HPSE (0.46) HPSEALDH1A1KDM4ENPC1TP53
SCHEMBL20458133 0.87 HPSE (0.46) HPSEALDH1A1KDM4ENPC1TP53
SCHEMBL13002098 0.85 HPSE (0.45) HPSEALDH1A1KDM4ENPC1TP53
SCHEMBL13059490 0.84 ALDH1A1 (0.46) HPSEALDH1A1KDM4ENPC1TP53
SCHEMBL22703576 0.83 HPSE (0.47) HPSEALDH1A1KDM4ENPC1TP53
SCHEMBL19004867 0.82 MEN1 (0.56) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL13058908 0.79 KDM4E (0.54) HPSEALDH1A1KDM4ENPC1TP53
SCHEMBL3769602 0.79 POLB (0.52) HPSEALDH1A1KDM4ENPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 HPSE 3388/4885ALDH1A1 1061/4885KDM4E 2203/4885

“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.