SCHEMBL9948677

SCHEMBL9948677

COc1cccc(-c2sc(C)nc2CBr)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
DYRK1A Q13627 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
ADORA2A P29274 3/20 0.42
ADORA1 P30542 3/20 0.42
KDM4E B2RXH2 2/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 1/20 0.41
PTPN1 P18031 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL9948995 0.90 SMN1; SMN2 (0.45) SMN1; SMN2MAPTTDP1NFKB1RAB9A
SCHEMBL327291 0.81 MEN1 (0.54) SMN1; SMN2MAPTTDP1NFKB1RAB9A
SCHEMBL269009 0.74 PIN1 (0.61) SMN1; SMN2KDM4EUSP2ALDH1A1HPGD
SCHEMBL2022799 0.74 ALOX5 (0.42) RAB9AALDH1A1MEN1KMT2AHCRTR1
SCHEMBL269345 0.73 KDM4E (0.52) SMN1; SMN2MAPTKDM4EUSP2ALDH1A1
SCHEMBL2887563 0.73 TRPM8 (0.55) SMN1; SMN2MAPTKDM4EUSP2ALDH1A1
SCHEMBL20716072 0.72 RAB9A (0.47) SMN1; SMN2MAPTTDP1NFKB1RAB9A
SCHEMBL9949083 0.72 RXRA (0.46) SMN1; SMN2MAPTTDP1NFKB1RAB9A
SCHEMBL14631928 0.72 PIN1 (0.49) SMN1; SMN2MAPTRAB9AKDM4EUSP2
SCHEMBL7950236 0.72 ALDH1A1 (0.64) SMN1; SMN2MAPTTDP1NFKB1RAB9A

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 2847/4885MAPT 4402/4885TDP1 1603/4885

“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.