SCHEMBL2228385

SCHEMBL2228385

CCCNC(=O)c1cccc(C)c1C

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
TSHR P16473 1/20 0.54
HTT P42858 1/20 0.54
P2RX7 Q99572 2/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.49
HPGD P15428 5/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAOB P27338 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
POLB P06746 3/20 0.47
THRB P10828 1/20 0.47
RECQL P46063 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 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
SCHEMBL17530107 0.89 TSHR (0.63) MEN1KMT2ATSHRHTTHPGD
SCHEMBL18646228 0.86 HPGD (0.55) TSHRHTTPTGDR2HPGDL3MBTL1
Hydrochloric Acid SCHEMBL27594379 0.86 NAAA (0.62) MEN1KMT2ATSHRHTTHPGD
SCHEMBL461599 0.86 HPGD (0.64) MEN1KMT2ATSHRHTTP2RX7
SCHEMBL31686014 0.86 HPGD (0.64) MEN1KMT2ATSHRHTTP2RX7
SCHEMBL4155532 0.86 KMT2A (0.50) MEN1KMT2ATSHRHTTP2RX7
SCHEMBL13614178 0.85 NAAA (0.56) MEN1KMT2ATSHRHTTHPGD
SCHEMBL27404315 0.84 POLB (0.53) KMT2ATSHRHTTHPGDL3MBTL1
SCHEMBL7105503 0.83 TSHR (0.51) MEN1KMT2ATSHRHTTPTGDR2
SCHEMBL5123028 0.83 TSHR (0.51) KMT2ATSHRHTTPTGDR2HPGD

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
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 US claimed
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
WO-2011090911-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-07-28 WO disclosed
EP-1846407-A1 7-{4-[2-(2,6-DICHLORO-4-METHYLPHENOXY)ETHOXY]PHENYL}-3,9-DIAZABICYCLO[3.3.31]NON-6-ENE-6-CARBOXYLIC ACID CYCLOPROPYL-(2,3-DIMETHYLBENZYL)AMIDE AS INHIBITORS OF RENIN FOR THE TREATMENT OF HYPERTENSION. Actelion Pharmaceuticals Ltd. (CH) 2007-10-24 EP disclosed
WO-2006079988-A1 7- {4- [2- (2 , 6-DICHL0R0-4-METHYLPHEN0XY) ETHOXY] PHENYL}-3 , 9-DIAZABICYCLO [3 .3 . 31] NON - 6-ENE- S- CARBOXYLIC ACID CYCLOPROPYL- (2 , 3-DIMETHYLBENZYD AMIDE AS INHIBITORS OF RENIN FOR THE TREATMENT OF HYPERTENSION ACTELION PHARMACEUTICALS LTD (CH) 2006-08-03 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 (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 MEN1 4321/4885KMT2A 1229/4885TSHR 3909/4885
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors PTPN5, PTPN1, PTPN7 MEN1 4622/4885KMT2A 2013/4885TSHR 3099/4885

“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.