SCHEMBL9948995

SCHEMBL9948995

COc1cccc(-c2sc(C)nc2CO)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 2/20 0.45
USP2 O75604 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
PIN1 Q13526 1/20 0.44
ATM Q13315 1/20 0.44
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
GCGR P47871 1/20 0.43
DYRK1A Q13627 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
LMNA P02545 2/20 0.43

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
SCHEMBL9948677 0.90 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1HPGDKDM4EUSP2
SCHEMBL2022799 0.84 ALOX5 (0.42) ALDH1A1RAB9APIN1HCRTR1HCRTR2
SCHEMBL327291 0.82 MEN1 (0.54) SMN1; SMN2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL22230689 0.82 ALDH1A1 (0.51) ALDH1A1HPGDKDM4EMAPTLMNA
SCHEMBL13448331 0.81 TRPM8 (0.44) ATMHCRTR1HCRTR2GCGRTRPM8
SCHEMBL269009 0.78 PIN1 (0.61) SMN1; SMN2ALDH1A1HPGDKDM4EUSP2
SCHEMBL269345 0.77 KDM4E (0.52) SMN1; SMN2ALDH1A1HPGDKDM4EUSP2
SCHEMBL14631928 0.76 PIN1 (0.49) SMN1; SMN2ALDH1A1HPGDKDM4EUSP2
SCHEMBL3372237 0.73 MAPT (0.55) SMN1; SMN2ALDH1A1HPGDKDM4EUSP2
SCHEMBL7950236 0.73 ALDH1A1 (0.64) SMN1; SMN2ALDH1A1HPGDKDM4EUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012101487-A1 DI/TRI-AZA-SPIRO-C9-C11ALKANES NOVARTIS AG (CH) 2012-08-02 WO disclosed
WO-2012101487-A1 DI/TRI-AZA-SPIRO-C9-C11ALKANES NOVARTIS AG (CH) 2012-08-02 WO disclosed
US-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-06-28 US disclosed
US-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-06-28 US disclosed
US-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-06-28 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-20120165331-A1 Di/tri-aza-spiro-C9-C11alkanes TACR2, TACR1, AGTR1 SMN1; SMN2 2847/4885ALDH1A1 44/4885HPGD 2756/4885

“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.