SCHEMBL1781295

SCHEMBL1781295

CC(C)(C)OC(=O)NN(C(=O)O)c1ccc(C=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 2/20 0.47
KDM4E B2RXH2 2/20 0.47
CYP2A6 P11509 1/20 0.43
CYP2A13 Q16696 1/20 0.43
MIF P14174 1/20 0.40
AKT1 P31749 3/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 3/20 0.39
ALDH3A1 P30838 1/20 0.38
ALDH1A3 P47895 1/20 0.38
CTSL P07711 2/20 0.36
CTSB P07858 2/20 0.36
CTSS P25774 2/20 0.36
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
KCNQ4 P56696 1/20 0.34

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
SCHEMBL1781292 0.90 NPC1 (0.46) RAB9AMAPTNPC1KDM4ECYP2A6
SCHEMBL1780465 0.81 AKT1 (0.41) RAB9AMAPTNPC1KDM4EAKT1
SCHEMBL1783529 0.77 AKT1 (0.36) RAB9AMAPTNPC1KDM4EMIF
SCHEMBL1781130 0.77 KDM4E (0.46) RAB9AMAPTNPC1KDM4EMIF
SCHEMBL25541945 0.74 RAB9A (0.38) RAB9AMAPTNPC1KDM4EMIF
SCHEMBL1780780 0.74 AKT1 (0.36) RAB9AMAPTNPC1KDM4EMIF
SCHEMBL1784857 0.74 MAPT (0.38) RAB9AMAPTNPC1KDM4EAKT1
SCHEMBL10565579 0.74 AKT1 (0.49) RAB9AMAPTNPC1AKT1SMN1; SMN2
SCHEMBL418939 0.73 CYP17A1 (0.54) RAB9AMAPTNPC1KDM4EMIF
SCHEMBL7546488 0.73 CYP2A6 (0.46) RAB9AMAPTNPC1KDM4ECYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304556-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-06 US disclosed
US-20120108567-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 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-20120108567-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R RAB9A 2207/4885MAPT 2509/4885NPC1 136/4885
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R RAB9A 2207/4885MAPT 2509/4885NPC1 136/4885

“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.