SCHEMBL2398115

SCHEMBL2398115

CC(NCCc1ccccc1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.66
TSHR P16473 2/20 0.66
MEN1 O00255 1/20 0.66
SIGMAR1 Q99720 2/20 0.58
OPRK1 P41145 1/20 0.53
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
CA12 O43570 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
ATM Q13315 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
ACE P12821 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
EPHX1 P07099 1/20 0.48
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
POLB P06746 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
SCHEMBL2398120 1.00 KMT2A (0.66) KMT2ATSHRMEN1SIGMAR1OPRK1
SCHEMBL31010347 0.89 KMT2A (0.61) KMT2ATSHRMEN1SIGMAR1CYP2D6
SCHEMBL17342294 0.89 KMT2A (0.61) KMT2ATSHRMEN1SIGMAR1CYP2D6
SCHEMBL9267311 0.87 SIGMAR1 (0.56) KMT2ATSHRMEN1SIGMAR1OPRK1
SCHEMBL28702566 0.86 SIGMAR1 (0.62) KMT2ATSHRMEN1SIGMAR1CYP2D6
SCHEMBL11031008 0.86 SIGMAR1 (0.62) KMT2ATSHRMEN1SIGMAR1CYP2D6
SCHEMBL6190817 0.86 SIGMAR1 (0.54) KMT2ATSHRMEN1SIGMAR1OPRK1
SCHEMBL3824786 0.86 SIGMAR1 (0.54) KMT2ATSHRMEN1SIGMAR1OPRK1
SCHEMBL27416851 0.86 OPRK1 (0.58) KMT2ATSHRMEN1SIGMAR1OPRK1
SCHEMBL7733774 0.84 MAPT (0.55) KMT2ATSHRMEN1SIGMAR1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024146629-A1 MODULATOR FOR PROMOTING BINDING OF BUTYROPHILIN 3A1/2A1 北京清辉联诺生物科技有限责任公司 2024-07-11 WO disclosed
US-8012975-B2 These compounds lack a 1,4-bridging group as found in the ecteinascidins; and, have at the C-1 position a substituent selected from an amino or hydroxy group, optionally protected or derivatized; anticarcinogenic agents PHARMA MAR, S.A. (ES) 2011-09-06 US disclosed
US-20080194798-A1 Novel Iminecalixarene Derivatives, Method for Preparing the Same, Self-Assembled Monolayer Prepared by Using the Iminecalixarene Derivatives or Aminocalixarene, and Protein Chip Using the Self-Assembled Monolayer BIOMETRIX TECHNOLOGY INC. (KR) 2008-08-14 US disclosed
US-7410969-B2 Antitumoral analogs of ET-743 PHARMA MAR, S.A. (ES) 2008-08-12 US disclosed
US-20080051407-A1 These compounds lack a 1,4-bridging group as found in the ecteinascidins; and, have at the C-1 position a substituent selected from an amino or hydroxy group, optionally protected or derivatized; anticarcinogenic agents PHARMA MAR, S.A., A MADRID SPAIN CORPORATION 2008-02-28 US disclosed
EP-1496060-B1 Antitumoral analogs of ET-743 PHARMA MAR SA (ES) 2007-08-01 EP disclosed
US-7247629-B2 Antitumoral analogs of et-743 PHARMA MAR, S.A. 2007-07-24 US disclosed
WO-2007052879-A1 NOVEL IMINECALIXARENE DERIVATES, METHOD FOR PREPARING THE SAME, SELF-ASSEMBLED MONOLAYER PREPARED BY USING THE IMINECALIXARENE DERIVATES OR AMINOCALIXARENE, AND PROTEIN CHIP USING THE SELF-ASSEMBLED MONOLAYER BIOMETRIX TECHNOLOGY INC (KR) 2007-05-10 WO disclosed
US-20060019960-A1 Antitumoral analogs of ET-743 PHARMA MAR, S.A. (ES) 2006-01-26 US disclosed
US-20050221456-A1 Use of indanoyl amide to stimulate secondary metabolism in Taxus sp. PHYTON BIOTECH, INC. (US) 2005-10-06 US disclosed
EP-1496060-A1 Antitumoral analogs of ET-743 PHARMA MAR, S.A. (ES) 2005-01-12 EP disclosed
EP-1289999-B1 ANTITUMORAL ANALOGS OF ET-743 PHARMA MAR SA (ES) 2004-11-17 EP disclosed
US-20040019056-A1 Anititumoral analogs of et-743 PHARMA MAR, S.A. (ES) 2004-01-29 US disclosed
EP-1289999-A1 ANTITUMORAL ANALOGS OF ET-743 PHARMA MAR, S.A. (ES) 2003-03-12 EP disclosed
WO-2001087894-A1 ANTITUMORAL ANALOGS OF ET-743 PHARMA MAR, S.A. (ES) 2001-11-22 WO disclosed
US-5480871-A TREATMENT OF BENIGN PROSTATIC HYPERPLASIA CHIRON CORPORATION (US) 1996-01-02 US disclosed
WO-1995027729-A1 OPIATE RECEPTOR LIGANDS CHIRON CORPORATION (US) 1995-10-19 WO disclosed
WO-1995004072-A1 PEPTOID ALPHA-1 ADRENERGIC RECEPTOR LIGANDS CHIRON CORPORATION (US) 1995-02-09 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 (4 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-20080194798-A1 Novel Iminecalixarene Derivatives, Method for Preparing the Same, Self-Assembled Monolayer Prepared by Using the Iminecalixarene Derivatives or Aminocalixarene, and Protein Chip Using the Self-Assembled Monolayer STUB1, SPEN, AURKC KMT2A 1260/4885TSHR 4193/4885MEN1 4200/4885
US-20040019056-A1 Anititumoral analogs of et-743 ETV1, ETV6, MATR3 KMT2A 2948/4885TSHR 2079/4885MEN1 322/4885
US-20080051407-A1 These compounds lack a 1,4-bridging group as found in the ecteinascidins; and, have at the C-1 position a substituent selected from an amino or hydroxy group, optionally protected or derivatized; anticarcinogenic agents FN1, RCN1, ERCC4 KMT2A 3807/4885TSHR 3384/4885MEN1 220/4885
US-20060019960-A1 Antitumoral analogs of ET-743 ETV1, ETV6, ETF1 KMT2A 4040/4885TSHR 2288/4885MEN1 561/4885

“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.