SCHEMBL104956

SCHEMBL104956

COc1ccc(CNC(C)C)cn1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 2/20 0.51
KDM1A O60341 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
PIK3CA P42336 1/20 0.44
ACACB O00763 2/20 0.42
NAMPT P43490 1/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 1/20 0.41
MLLT1 Q03111 1/20 0.40
KCNH2 Q12809 1/20 0.40
ADORA2A P29274 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
ADORA2B P29275 1/20 0.38

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
SCHEMBL28919324 0.82 KDM1A (0.45) CD274KDM1AMAOAMAOBACACB
SCHEMBL25201686 0.82 KDM1A (0.45) CD274KDM1AMAOAMAOBACACB
SCHEMBL17605627 0.82 KDM1A (0.48) CD274KDM1AMAOAMAOBACACB
SCHEMBL13822677 0.82 SMN1; SMN2 (0.54) CD274KDM1AMAOAMAOBNAMPT
SCHEMBL20618574 0.81 CASR (0.53) KDM1AMAOAMAOBADORA2AMEN1
SCHEMBL178395 0.80 KDM1A (0.51) CD274KDM1AMAOAMAOBNAMPT
SCHEMBL30471820 0.80 KDM1A (0.51) CD274KDM1AMAOAMAOBNAMPT
SCHEMBL13401263 0.79 KDM1A (0.50) KDM1AMAOAMAOBNAMPTCYP2C9
SCHEMBL20775012 0.79 KDM1A (0.50) KDM1AMAOAMAOBNAMPTCYP2C9
SCHEMBL29196394 0.79 KDM1A (0.50) KDM1AMAOAMAOBNAMPTCYP2C9

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-20160151335-A1 METHODS OF MODULATING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. (US) 2016-06-02 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-20100068204-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS WYETH (US) 2010-03-18 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 (3 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 CD274 4357/4885KDM1A 3304/4885MAOA 1717/4885
US-20160151335-A1 METHODS OF MODULATING CFTR ACTIVITY CFTR, HSP90B1, SERPINB1 CD274 4883/4885KDM1A 4631/4885MAOA 3503/4885
US-20100068204-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS MTOR, RICTOR, PIK3CA CD274 2806/4885KDM1A 2002/4885MAOA 3918/4885

“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.