SCHEMBL16233231

SCHEMBL16233231

COc1cc(C(=O)NCCN2CCOCC2)cc(OC)c1OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.64
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 2/20 0.60
TP53 P04637 1/20 0.60
POLB P06746 1/20 0.60
ALOX15 P16050 1/20 0.60
CYP2C9 P11712 2/20 0.59
CYP2C19 P33261 2/20 0.59
CYP2D6 P10635 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.57
KMT2A Q03164 1/20 0.56
SLC6A5 Q9Y345 3/20 0.56
CD274 Q9NZQ7 3/20 0.56
RXFP1 Q9HBX9 1/20 0.56
HPGD P15428 1/20 0.55
LMNA P02545 1/20 0.55
HSD17B10 Q99714 1/20 0.54
CYP1A2 P05177 1/20 0.53
GAA P10253 1/20 0.52
BCL3 P20749 1/20 0.52

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
SCHEMBL16234611 0.82 TSHR (0.71) TSHRKDM4EALDH1A1TP53POLB
SCHEMBL16233217 0.81 ROCK2 (0.61) TSHRALDH1A1TP53ALOX15SMN1; SMN2
SCHEMBL16233185 0.81 TP53 (0.68) TP53POLBCYP2C19SLC6A5LMNA
SCHEMBL16233235 0.81 SLC6A5 (0.62) ALDH1A1KMT2ASLC6A5LMNA
SCHEMBL17870591 0.80 BCL3 (0.74) TSHRALDH1A1POLBCYP2C9CYP2C19
SCHEMBL16233170 0.79 SLC6A5 (0.61) ALDH1A1TP53SLC6A5
SCHEMBL16233163 0.77 SLC6A5 (0.83) ALDH1A1TP53KMT2ASLC6A5
SCHEMBL29637962 0.77 SLC6A5 (0.56) KDM4EALDH1A1SMN1; SMN2KMT2ASLC6A5
SCHEMBL3543383 0.77 CYP2C9 (0.71) TSHRKDM4EALDH1A1TP53POLB
SCHEMBL29637972 0.76 MCHR1 (0.56) POLBSLC6A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9359346-B2 Benzamide derivative and use thereof VIVOZON, INC. (KR) 2016-06-07 US disclosed
US-9359346-B2 Benzamide derivative and use thereof VIVOZON, INC. (KR) 2016-06-07 US disclosed
US-20140336378-A1 NOVEL BENZAMIDE DERIVATIVE AND USE THEREOF VIVOZON, INC. (KR) 2014-11-13 US disclosed
US-20140336378-A1 NOVEL BENZAMIDE DERIVATIVE AND USE THEREOF VIVOZON, INC. (KR) 2014-11-13 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-20140336378-A1 NOVEL BENZAMIDE DERIVATIVE AND USE THEREOF TRPV1, TRPA1, TRPV5 TSHR 4870/4885KDM4E 1505/4885ALDH1A1 129/4885

“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.