SCHEMBL21156447

SCHEMBL21156447

CC(C)CCCOc1ccc(-c2nnc(N)s2)cc1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.74
MAPT P10636 2/20 0.74
LMNA P02545 2/20 0.74
KDM4E B2RXH2 8/20 0.70
SMN1; SMN2 Q16637 5/20 0.70
NPC1 O15118 4/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
TP53 P04637 2/20 0.65
HSD17B10 Q99714 2/20 0.65
ALDH1A1 P00352 2/20 0.57
MGAM O43451 4/20 0.57
GAA P10253 4/20 0.57
SI P14410 4/20 0.57
MGAM2 Q2M2H8 4/20 0.57
HPGD P15428 1/20 0.54
XIAP P98170 1/20 0.49
NOTUM Q6P988 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
NR1H4 Q96RI1 1/20 0.46

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
SCHEMBL7323592 0.85 RAB9A (1.00) RAB9AMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL6538920 0.83 RAB9A (0.94) RAB9AMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL16479583 0.82 RAB9A (0.78) RAB9AMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL3107207 0.82 RAB9A (0.76) RAB9AMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL17713905 0.81 KDM4E (0.76) RAB9AMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL12939777 0.81 RAB9A (0.74) RAB9AMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL6539262 0.78 KDM4E (0.97) RAB9AMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL21157737 0.77 RAB9A (0.73) RAB9AMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL13527127 0.76 RAB9A (0.67) RAB9AMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL9239942 0.76 RAB9A (0.55) RAB9AMAPTLMNAKDM4ESMN1; SMN2

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-20190211046-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2019-07-11 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-20190211046-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PROKR1, ARG1, ARG2 RAB9A 2624/4885MAPT 4213/4885LMNA 2857/4885

“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.