SCHEMBL1785423

SCHEMBL1785423

CC(C)(C)OC(=O)NN=C1CCN(C2CC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
KMT2A Q03164 2/20 0.59
KDM4E B2RXH2 6/20 0.40
GFER P55789 1/20 0.38
MAPT P10636 2/20 0.37
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OGFRL1 Q5TC84 1/20 0.35
CTSK P43235 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
PREP P48147 1/20 0.35
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 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
SCHEMBL4034600 0.82 KDM4E (0.59) ALDH1A1KMT2AKDM4EMAPTRAB9A
SCHEMBL4037741 0.81 KMT2A (0.56) ALDH1A1KMT2AKDM4EMAPTMEN1
SCHEMBL1128227 0.79 ALDH1A1 (0.55) ALDH1A1KMT2AKDM4EMEN1
SCHEMBL27584130 0.79 ALDH1A1 (0.55) ALDH1A1KMT2AKDM4EGFERMAPT
SCHEMBL5230106 0.79 ALDH1A1 (0.69) ALDH1A1KMT2AKDM4EMAPTRAB9A
SCHEMBL27605854 0.78 ALDH1A1 (0.53) ALDH1A1KMT2AKDM4EMAPTMEN1
SCHEMBL573354 0.78 ALDH1A1 (0.63) ALDH1A1KMT2AKDM4ERAB9A
SCHEMBL272269 0.78 ALDH1A1 (0.63) ALDH1A1KMT2AKDM4EMAPTMEN1
SCHEMBL4861309 0.78 ALDH1A1 (0.68) ALDH1A1KMT2AKDM4EMAPTMEN1
SCHEMBL23782301 0.77 KDM4E (0.54) ALDH1A1KMT2AKDM4EMAPTRAB9A

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 7 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-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-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
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 US disclosed
WO-2009112565-A1 THIAZOLYL-DIHYDRO-INDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-17 WO 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 ALDH1A1 54/4885KMT2A 2863/4885KDM4E 3045/4885
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R ALDH1A1 54/4885KMT2A 2863/4885KDM4E 3045/4885

“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.