SCHEMBL534135

SCHEMBL534135

COc1cc(Br)c(CCNC(C)=O)cc1OC

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.70
POLB P06746 1/20 0.64
KMT2A Q03164 1/20 0.64
LMNA P02545 1/20 0.61
RECQL P46063 1/20 0.61
MTNR1A P48039 7/20 0.59
MTNR1B P49286 7/20 0.59
HSD17B10 Q99714 2/20 0.50
TP53 P04637 1/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
HPGD P15428 1/20 0.50
APEX1 P27695 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL25706938 0.89 HTR2A (0.65) SMN1; SMN2MTNR1AMTNR1B
SCHEMBL31307673 0.89 HTR2A (0.65) SMN1; SMN2MTNR1AMTNR1B
SCHEMBL16210197 0.85 KMT2A (0.68) SMN1; SMN2POLBKMT2ALMNARECQL
SCHEMBL14811705 0.81 SMN1; SMN2 (0.62) SMN1; SMN2POLBKMT2ALMNARECQL
SCHEMBL11747110 0.81 MTNR1A (0.59) KMT2ALMNAMTNR1AMTNR1BHSD17B10
SCHEMBL11304565 0.79 MTNR1A (0.66) SMN1; SMN2KMT2AMTNR1AMTNR1BHSD17B10
SCHEMBL6555821 0.79 MTNR1B (0.64) KMT2AMTNR1AMTNR1BHSD17B10TP53
SCHEMBL25238411 0.79 HTR2A (0.63) MTNR1AMTNR1B
SCHEMBL25424120 0.78 HTR2A (0.67) SMN1; SMN2POLBKMT2A
SCHEMBL2921658 0.78 SMN1; SMN2 (0.48) SMN1; SMN2POLBKMT2ALMNARECQL

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
JP-56128756-A None JP disclosed
CN-113816891-A Synthesis method of 5, 6-dihydroxyindole and derivatives thereof 河南省科学院化学研究所有限公司 2021-12-21 CN disclosed
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US disclosed
EP-2413941-A1 RENIN INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-02-08 EP disclosed
WO-2010114978-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-10-07 WO disclosed
JP-S56128756-A PREPARATION OF INDOLE DERIVATIVE SENDAI FUKUSOKAN KAGAKU KENKYUSHO 1981-10-08 JP 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-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 SMN1; SMN2 4604/4885POLB 1555/4885KMT2A 3390/4885

“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.