SCHEMBL2733150

SCHEMBL2733150

CN1C(=O)N(C)C(c2ccccc2)C1c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.65
KMT2A Q03164 3/20 0.65
MEN1 O00255 2/20 0.65
ATM Q13315 2/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
BRD4 O60885 3/20 0.42
ADRA2C P18825 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ELANE P08246 1/20 0.41
SRD5A1 P18405 1/20 0.40
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTR2B P41595 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
SCHEMBL2733147 1.00 TSHR (0.65) TSHRKMT2AMEN1ATMALDH1A1
SCHEMBL14569802 0.87 KMT2A (0.72) TSHRKMT2AMEN1ATMALDH1A1
SCHEMBL2731404 0.76 TSHR (0.42) TSHRKMT2AMEN1ATMALDH1A1
SCHEMBL24052064 0.76 TSHR (0.42) TSHRKMT2AMEN1ATMALDH1A1
SCHEMBL8821125 0.76 KMT2A (0.47) TSHRKMT2AMEN1ATMALDH1A1
SCHEMBL13557184 0.76 KMT2A (0.50) TSHRKMT2AMEN1ATMALDH1A1
SCHEMBL8628659 0.75 TSHR (0.49) TSHRKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL9508090 0.74 KMT2A (0.45) TSHRKMT2AMEN1ATMALDH1A1
SCHEMBL9511305 0.74 KMT2A (0.45) TSHRKMT2AMEN1ATMALDH1A1
SCHEMBL9511293 0.74 KMT2A (0.45) TSHRKMT2AMEN1ATMALDH1A1

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
EP-2632917-B1 NOVEL PHASE TRANSFER CATALYSTS UNIV SINGAPORE (SG) 2016-04-20 EP disclosed
EP-2632917-A1 NOVEL PHASE TRANSFER CATALYSTS National University of Singapore (SG) 2013-09-04 EP disclosed
US-20130217889-A1 NOVEL PHASE TRANSFER CATALYSTS NATIONAL UNIVERSITY OF SINGAPORE (SG) 2013-08-22 US disclosed
WO-2012057709-A1 NOVEL PHASE TRANSFER CATALYSTS NATIONAL UNIVERSITY OF SINGAPORE (SG) 2012-05-03 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-20130217889-A1 NOVEL PHASE TRANSFER CATALYSTS POLR2B, POLR1A, POLR2A TSHR 1696/4885KMT2A 1808/4885MEN1 1475/4885

“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.