SCHEMBL16401189

SCHEMBL16401189

CC1(CCO)OCCN(Cc2ccccc2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ELANE P08246 3/20 0.41
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
BRD4 O60885 1/20 0.40
CYP2D6 P10635 2/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CTSG P08311 1/20 0.40
PRTN3 P24158 1/20 0.40
GAA P10253 2/20 0.38
RIPK1 Q13546 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HSD11B1 P28845 1/20 0.37
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL18569534 0.82 KMT2A (0.44) KMT2AMEN1ELANEDDB1CRBN
SCHEMBL16400948 0.82 KMT2A (0.46) KMT2AMEN1ELANEDDB1CRBN
SCHEMBL16400865 0.81 KMT2A (0.45) KMT2AMEN1ELANEDDB1CRBN
SCHEMBL17055358 0.80 KMT2A (0.53) KMT2AMEN1ELANEDDB1CRBN
SCHEMBL16399447 0.76 AMPD2 (0.44) ELANECTSGPRTN3GAAL3MBTL1
SCHEMBL17837174 0.76 KMT2A (0.54) KMT2AMEN1ELANEDDB1CRBN
SCHEMBL18569737 0.74 BRD4 (0.41) ELANEBRD4POLBCTSGPRTN3
SCHEMBL16399764 0.74 BRD4 (0.41) ELANEBRD4POLBCTSGPRTN3
SCHEMBL16400195 0.73 ELANE (0.40) KMT2AMEN1ELANEBRD4POLB
SCHEMBL16399520 0.72 ELANE (0.37) ELANEBRD4POLBCYP2C19CTSG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3004084-B1 SUBSTITUTED BENZOXAZOLES Bayer Pharma AG (DE) 2017-03-01 EP disclosed
US-20160108027-A1 SUBSTITUTED BENZOXAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-04-21 US disclosed
US-20160108027-A1 SUBSTITUTED BENZOXAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-04-21 US disclosed
US-20160108027-A1 SUBSTITUTED BENZOXAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-04-21 US disclosed
EP-3004086-A1 SUBSTITUTED BENZOXAZOLES Bayer Pharma Aktiengesellschaft (DE) 2016-04-13 EP disclosed
WO-2014195230-A1 SUBSTITUTED BENZOXAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-12-11 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 (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-20160108027-A1 SUBSTITUTED BENZOXAZOLES TBXA2R, XDH, CYP4X1 KMT2A 2998/4885MEN1 3047/4885ELANE 447/4885

“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.