SCHEMBL20161762

SCHEMBL20161762

CC(Cc1cccc(C(C)(C)C)n1)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CFTR P13569 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
GOPC Q9HD26 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CBLB Q13191 1/20 0.35
MAPT P10636 1/20 0.34
KCNA5 P22460 1/20 0.34
KCNH2 Q12809 1/20 0.34
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL19646227 0.80 SMN1; SMN2 (0.38) SMN1; SMN2LMNAL3MBTL1KDM4ECFTR
SCHEMBL18427396 0.80 SMN1; SMN2 (0.38) SMN1; SMN2LMNAL3MBTL1KDM4ECFTR
SCHEMBL15316715 0.75 HMGCR (0.35) KDM4ECBLBKCNH2
SCHEMBL21012060 0.75 ALDH1A1 (0.38) SMN1; SMN2L3MBTL1KDM4ECFTRSLC6A2
SCHEMBL18522503 0.75 ALDH1A1 (0.38) SMN1; SMN2L3MBTL1KDM4ECFTRSLC6A2
SCHEMBL24467923 0.73 ALDH1A1 (0.38) LMNAKDM4ECFTRSLC6A2SLC6A4
SCHEMBL26042044 0.72 KIF11 (0.49) SMN1; SMN2LMNAL3MBTL1ALDH1A1MAPT
SCHEMBL19954875 0.72 SMN1; SMN2 (0.38) SMN1; SMN2LMNAL3MBTL1KDM4ESLC6A2
SCHEMBL21653566 0.72 SMN1; SMN2 (0.33) SMN1; SMN2LMNAL3MBTL1KDM4ECFTR
SCHEMBL20079669 0.71 CYP19A1 (0.40) LMNAKCNA5

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-20220073478-A1 HYDRAZIDE CONTAINING NUCLEAR TRANSPORT MODULATORS AND USES THEREOF Karyopharm Therapeutics Inc. 2022-03-10 US disclosed
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2018-05-17 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-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 SMN1; SMN2 129/4885LMNA 819/4885L3MBTL1 3959/4885
US-20220073478-A1 HYDRAZIDE CONTAINING NUCLEAR TRANSPORT MODULATORS AND USES THEREOF XPO1, KPNA1, ABCB11 SMN1; SMN2 1680/4885LMNA 645/4885L3MBTL1 4360/4885

“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.