SCHEMBL9908098

SCHEMBL9908098

CC(C)CC(C(=O)Nc1ccn(C)n1)N1C(=O)Cc2cc(Br)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 7/20 0.36
RAB9A P51151 6/20 0.36
MAPT P10636 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HPGD P15428 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
IDO1 P14902 1/20 0.34
USP2 O75604 1/20 0.33
TSHR P16473 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
SCHEMBL9908104 0.90 NPC1 (0.41) GCKSMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL9908113 0.89 NPC1 (0.47) GCKSMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL9107717 0.85 GCK (0.53) GCKCHRM2CHRM4CHRM1CHRM3
SCHEMBL9908088 0.84 SCD (0.42) GCKSMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL9908118 0.83 NPC1 (0.47) GCKSMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL9107559 0.83 RAB9A (0.41) GCKLMNAKDM4EALDH1A1NPC1
SCHEMBL9908099 0.82 GAA (0.38) GCKKDM4ENPC1RAB9AMAPT
SCHEMBL9103176 0.82 GAA (0.38) GCKKDM4ENPC1RAB9AMAPT
SCHEMBL9908097 0.82 GCK (0.42) GCKSMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL9106358 0.79 MCL1 (0.47) SMN1; SMN2LMNA

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-20120142705-A1 ISATIN AND OXINDOLE COMPOUNDS KESTER ROBERT FRANCIS (US) 2012-06-07 US disclosed
US-20120142705-A1 ISATIN AND OXINDOLE COMPOUNDS KESTER ROBERT FRANCIS (US) 2012-06-07 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-20120142705-A1 ISATIN AND OXINDOLE COMPOUNDS GPR119, INSR, OAT GCK 488/4885SMN1; SMN2 1483/4885LMNA 4226/4885

“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.