SCHEMBL2228231

SCHEMBL2228231

Cc1ccccc1C(=O)N(C)CCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.71
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
MLYCD O95822 2/20 0.54
ABCC1 P33527 1/20 0.51
HPGD P15428 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
GPR52 Q9Y2T5 1/20 0.50
RECQL P46063 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LTB4R Q15722 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47

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
SCHEMBL30498661 0.89 KMT2A (0.57) KMT2ATSHRMAPK1MLYCDABCC1
SCHEMBL30498665 0.85 KMT2A (0.52) KMT2AMLYCDSMN1; SMN2L3MBTL1TDP1
SCHEMBL10330504 0.83 KMT2A (1.00) KMT2ATSHRMAPK1HPGDTDP1
SCHEMBL3235170 0.83 KMT2A (0.54) KMT2ATSHRMAPK1LTB4RLTB4R2
SCHEMBL10269519 0.81 KMT2A (0.63) KMT2ATSHRMAPK1HPGDSMN1; SMN2
SCHEMBL2228382 0.81 KMT2A (0.63) KMT2ATSHRMAPK1HPGDSMN1; SMN2
SCHEMBL25003658 0.80 MLYCD (0.50) KMT2AMLYCDABCC1HPGDMEN1
SCHEMBL14454157 0.80 KMT2A (0.61) KMT2ATSHRMAPK1HPGDSMN1; SMN2
SCHEMBL15108850 0.80 KMT2A (0.61) KMT2ATSHRMAPK1HPGDSMN1; SMN2
SCHEMBL29652663 0.80 MLYCD (0.50) KMT2AMLYCDABCC1HPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
US-8735384-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2014-05-27 US disclosed
US-20130040931-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2013-02-14 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
WO-2011090911-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-07-28 WO disclosed
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 US disclosed
EP-2206707-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-07-14 EP 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 (2 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-20130040931-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APH1B KMT2A 1229/4885TSHR 3909/4885MAPK1 4183/4885
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF TRPV1, FGFR3, GPR17 KMT2A 1236/4885TSHR 1097/4885MAPK1 307/4885

“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.